Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.71 |
| ▸ | ACHE | P22303 | 3/20 | 0.71 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | CA1 | P00915 | 2/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | CA7 | P43166 | 2/20 | 0.45 |
| ▸ | CA9 | Q16790 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.38 |
| ▸ | FEN1 | P39748 | 1/20 | 0.38 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| O-Xylene SCHEMBL21987916 | 0.85 | TSHR (0.83) | TSHRACHEALDH1A1CA1CA2 | |
| O-Xylene SCHEMBL2288470 | 0.85 | TSHR (0.83) | TSHRACHEALDH1A1CA1CA2 | |
| O-Xylene SCHEMBL6272683 | 0.85 | TSHR (0.83) | TSHRACHEALDH1A1CA1CA2 | |
| O-Xylene SCHEMBL11035539 | 0.84 | TSHR (1.00) | TSHRACHEALDH1A1CA1CA2 | |
| O-Xylene SCHEMBL8216257 | 0.84 | TSHR (1.00) | TSHRACHEALDH1A1CA1CA2 | |
| O-Xylene SCHEMBL2854068 | 0.84 | — | — | |
| O-Xylene SCHEMBL170581 | 0.84 | TSHR (1.00) | TSHRACHEALDH1A1CA1CA2 | |
| O-Xylene SCHEMBL11034038 | 0.84 | TSHR (1.00) | TSHRACHEALDH1A1CA1CA2 | |
| O-Xylene SCHEMBL772 | 0.84 | — | — | |
| O-Xylene SCHEMBL10522915 | 0.84 | TSHR (1.00) | TSHRACHEALDH1A1CA1CA2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112961140-A | Naphthoquinone heterocyclic compound and application thereof | 北京云基科技有限公司 | 2021-06-15 | — | — | CN | disclosed |
| EP-2594555-B1 | HETEROCYCLIC COMPOUND, AND p27 KIP1 DEGRADATION INHIBITOR | ASKA PHARM CO LTD (JP) | 2018-03-07 | — | — | EP | disclosed |
| CN-105899509-B | Isopropyl triazolopyridine compounds | 伊莱利利公司 | 2018-01-02 | — | — | CN | disclosed |
| CN-103732603-B | Metal complexes comprising azabenzimidazole carbene ligands and their use in OLEDs | UDC 爱尔兰有限责任公司 | 2017-05-31 | — | — | CN | disclosed |
| US-9533977-B2 | Oxazolidinone derivative as CETP inhibitor, its preparation method, and pharmaceutical composition comprising the same | DONG-A ST CO., LTD. (KR) | 2017-01-03 | — | — | US | disclosed |
| CN-106098953-A | Organometallic complex, light-emitting component, light-emitting device, electronic equipment and illuminator | 株式会社半导体能源研究所 | 2016-11-09 | — | — | CN | disclosed |
| CN-105899509-A | Isopropyl triazolopyridine compounds | 伊莱利利公司 | 2016-08-24 | — | — | CN | disclosed |
| CN-105473597-A | Metal complexes | MERCK PATENT GMBH | 2016-04-06 | — | — | CN | disclosed |
| US-20160039804-A1 | NOVEL OXAZOLIDINONE DERIVATIVE AS CETP INHIBITOR, ITS PREPARATION METHOD, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME | DONG-A ST CO., LTD. (KR) | 2016-02-11 | — | — | US | disclosed |
| EP-2978761-A1 | NOVEL OXAZOLIDINONE DERIVATIVE AS CETP INHIBITOR, ITS PREPARATION METHOD, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME | Dong-A ST Co., Ltd. (KR) | 2016-02-03 | — | — | EP | disclosed |
| US-20080108625-A1 | Substituted Triazole Derivatives as Oxytocin Antagonists | PFIZER INC | 2008-05-08 | — | — | US | disclosed |
| EP-1871759-A1 | BENZODIOXANE AND BENZODIOXOLANE DERIVATIVES AND USES THEREOF | Wyeth a Corporation of the State of Delaware (US) | 2008-01-02 | — | — | EP | disclosed |
| US-7291640-B2 | Substituted triazole derivatives as oxytocin antagonists | PFIZER INC. (US) | 2007-11-06 | — | — | US | disclosed |
| WO-2006116158-A1 | BENZODIOXANE AND BENZODIOXOLANE DERIVATIVES AND USES THEREOF | WYETH (US) | 2006-11-02 | — | — | WO | disclosed |
| US-20060241172-A1 | Benzodioxane and benzodioxolane derivatives and uses thereof | WYETH (US) | 2006-10-26 | — | — | US | disclosed |
| EP-1673355-A1 | SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS | Pfizer Limited (GB) | 2006-06-28 | — | — | EP | disclosed |
| WO-2005028452-A9 | SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS | PFIZER LTD (GB) | 2005-07-21 | — | — | WO | disclosed |
| US-20050107382-A1 | e.g. 2-(4-fluoro-2-methylphenyl)-5-(5-methoxymethyl-4-(6-methoxypyridin-3-yl)-4H-[1,2,4]triazol-3-yl)-pyridine; treatment of arousal disorder, orgasmic disorder, sexual pain disorder and premature ejaculation, preterm labor, appetite and feeding disorders, dysmenorrhoea, congestive heart failure, etc. | PFIZER INC. | 2005-05-19 | — | — | US | disclosed |
| WO-2005028452-A1 | SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS | PFIZER LIMITED (GB) | 2005-03-31 | — | — | WO | disclosed |
| CN-1370176-A | Subsstituted heterocycle fused gamma-carbolines | BRISTOL MYERS SQUIBB CO (US) | 2002-09-18 | — | — | CN | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20050107382-A1 | e.g. 2-(4-fluoro-2-methylphenyl)-5-(5-methoxymethyl-4-(6-methoxypyridin-3-yl)-4H-[1,2,4]triazol-3-yl)-pyridine; treatment of arousal disorder, orgasmic disorder, sexual pain disorder and premature ejaculation, preterm labor, appetite and feeding disorders, dysmenorrhoea, congestive heart failure, etc. | OXTR, OPRL1, NPY4R | TSHR 744/4885ACHE 1549/4885ALDH1A1 2633/4885 |
| US-20060241172-A1 | Benzodioxane and benzodioxolane derivatives and uses thereof | HTR2C, HTR1D, HTR1A | TSHR 216/4885ACHE 969/4885ALDH1A1 814/4885 |
| US-20160039804-A1 | NOVEL OXAZOLIDINONE DERIVATIVE AS CETP INHIBITOR, ITS PREPARATION METHOD, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME | CETP, MTTP, APOB | TSHR 4411/4885ACHE 1529/4885ALDH1A1 2846/4885 |
| US-20080108625-A1 | Substituted Triazole Derivatives as Oxytocin Antagonists | OXTR, PRLHR, KISS1R | TSHR 445/4885ACHE 2201/4885ALDH1A1 3640/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.