Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.60 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.47 |
| ▸ | CMA1 | P23946 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL5262371 | 0.90 | CYP3A4 (0.49) | CYP3A4KMT2ASMN1; SMN2RAB9AALDH1A1 | |
| SCHEMBL2798211 | 0.84 | TAAR1 (0.53) | CYP3A4L3MBTL1SMN1; SMN2TAAR1SLC6A4 | |
| SCHEMBL9689020 | 0.82 | TAAR1 (0.50) | CYP3A4SMN1; SMN2TAAR1CALM1 | |
| SCHEMBL16520810 | 0.80 | CYP3A4 (0.52) | CYP3A4L3MBTL1KMT2ATDP1SMN1; SMN2 | |
| SCHEMBL3809994 | 0.80 | TAAR1 (0.48) | CYP3A4L3MBTL1SMN1; SMN2TAAR1SLC6A4 | |
| SCHEMBL924831 | 0.78 | ALDH1A1 (0.54) | CYP3A4L3MBTL1SMN1; SMN2TAAR1SLC6A4 | |
| SCHEMBL10533406 | 0.78 | CYP3A4 (0.65) | CYP3A4SMN1; SMN2NPC1RAB9ATAAR1 | |
| SCHEMBL11240060 | 0.77 | CYP3A4 (0.64) | CYP3A4L3MBTL1KMT2ATDP1TAAR1 | |
| SCHEMBL30194840 | 0.77 | CYP3A4 (0.64) | CYP3A4L3MBTL1KMT2ATDP1TAAR1 | |
| SCHEMBL3417124 | 0.77 | CYP3A4 (0.64) | CYP3A4L3MBTL1KMT2ATDP1TAAR1 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130085157-A1 | ARYLSUBSTITUTED THIAZOLOTRIAZOLES AND THIAZOLOIMIDAZOLES | SMITH EMILIE D (US) | 2013-04-04 | — | — | US | disclosed |
| WO-2013049585-A1 | ARYLSUBSTITUTED THIAZOLOTRIAZOLES AND THIAZOLOIMIDAZOLES | HENGRUI (USA), LTD. (US) | 2013-04-04 | — | — | WO | disclosed |
| US-20110195999-A1 | NOVEL ANTIFUNGAL AGENT CONTAINING HETEROCYCLIC COMPOUND | NAKAMOTO KAZUTAKA | 2011-08-11 | — | — | US | disclosed |
| US-7932272-B2 | Antifungal agent containing heterocyclic compound | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2011-04-26 | — | — | US | disclosed |
| US-20090227799-A1 | Novel Antimalarial Agent Containing Heterocyclic Compound | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2009-09-10 | — | — | US | disclosed |
| US-20070105943-A1 | Novel antifungal agent containing heterocyclic compound | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2007-05-10 | — | — | US | disclosed |
| EP-1782811-A1 | NOVEL ANTIMALARIA AGENT CONTAINING HETEROCYCLIC COMPOUND | Eisai R&D Management Co., Ltd. (JP) | 2007-05-09 | — | — | EP | disclosed |
| EP-1669348-A1 | NOVEL ANTIFUNGAL AGENT COMPRISING HETEROCYCLIC COMPOUND | Eisai Co., Ltd. (JP) | 2006-06-14 | — | — | EP | disclosed |
| US-20050209274-A1 | Antagonists of melanin concentrating hormone effects on the melanin concentrating hormone receptor | ABOTT LABORATORIES | 2005-09-22 | — | — | US | disclosed |
| US-5811439-A | ANTIDIABETIC AGENTS; SIDE EFFECT REDUCTION; ANTILEPEMIC AGENTS | SENGA PHARMACEUTICAL LABORATORY INC. (JP) | 1998-09-22 | — | — | US | disclosed |
| EP-0780389-A1 | Thiazolidinedione derivatives, process for their preparation and pharmaceutical compositions containing them | TOBISHI PHARMACEUTICAL CO., LTD. (JP) | 1997-06-25 | — | — | EP | 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 (5 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-20110195999-A1 | NOVEL ANTIFUNGAL AGENT CONTAINING HETEROCYCLIC COMPOUND | ERG28, CYP51A1, XPO1 | CYP3A4 61/4885L3MBTL1 2320/4885KMT2A 3747/4885 |
| US-20090227799-A1 | Novel Antimalarial Agent Containing Heterocyclic Compound | XPO1, THPO, G6PD | CYP3A4 1535/4885L3MBTL1 1720/4885KMT2A 2620/4885 |
| US-20130085157-A1 | ARYLSUBSTITUTED THIAZOLOTRIAZOLES AND THIAZOLOIMIDAZOLES | TGM2, CCT5, TSHR | CYP3A4 1878/4885L3MBTL1 1408/4885KMT2A 2880/4885 |
| US-20070105943-A1 | Novel antifungal agent containing heterocyclic compound | ERG28, DPM1, CYP51A1 | CYP3A4 104/4885L3MBTL1 2126/4885KMT2A 3740/4885 |
| US-20050209274-A1 | Antagonists of melanin concentrating hormone effects on the melanin concentrating hormone receptor | MCHR1, MCHR2, MC1R | CYP3A4 2837/4885L3MBTL1 2777/4885KMT2A 1806/4885 |
“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.