Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.58 |
| ▸ | HPGD | P15428 | 5/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.55 |
| ▸ | MEN1 | O00255 | 4/20 | 0.55 |
| ▸ | NPC1 | O15118 | 4/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | PLAU | P00749 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.47 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL314216 | 0.86 | HDAC3 (0.60) | ALDH1A1HPGDHSD17B10KDM4EKMT2A | |
| SCHEMBL853199 | 0.85 | ALDH1A1 (0.55) | ALDH1A1HPGDKDM4EKMT2AMEN1 | |
| SCHEMBL29362884 | 0.85 | ALDH1A1 (0.55) | ALDH1A1HPGDKDM4EKMT2AMEN1 | |
| SCHEMBL9805783 | 0.85 | ALDH1A1 (0.62) | ALDH1A1HPGDCYP1A2CYP2C19HSD17B10 | |
| SCHEMBL382162 | 0.84 | ALDH1A1 (0.56) | ALDH1A1KDM4EKMT2AMEN1NPC1 | |
| SCHEMBL9805762 | 0.83 | ALDH1A1 (0.60) | ALDH1A1HPGDCYP1A2CYP2C19HSD17B10 | |
| SCHEMBL11247310 | 0.81 | ALDH1A1 (0.65) | ALDH1A1HPGDCYP1A2CYP2C19HSD17B10 | |
| SCHEMBL9698077 | 0.81 | KDM4E (0.62) | ALDH1A1HPGDCYP1A2CYP2C19HSD17B10 | |
| SCHEMBL7173547 | 0.81 | ALDH1A1 (0.69) | ALDH1A1HPGDCYP1A2CYP2C19HSD17B10 | |
| SCHEMBL31427513 | 0.81 | ALDH1A1 (0.69) | ALDH1A1HPGDCYP1A2CYP2C19HSD17B10 |
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-7799818-B2 | Pyrazole derivatives, compositions containing such compounds and methods of use | MERCK SHARP & DOHME CORP. (US) | 2010-09-21 | — | — | US | disclosed |
| US-7598285-B2 | Pyrazole derivatives, compositions containing such compounds and methods of use | MERCK & CO., INC (US) | 2009-10-06 | — | — | US | disclosed |
| US-20090176854-A1 | N-[4-((1S)-1-{3-(3,5-Dichlorophenyl)-5-[6-(trifluoromethoxy)-2-naphthyl]-1H-pyrazol-1-yl}ethyl)benzoyl]- beta -alanine; type 2 diabetes, hyperglycemia, or insulin resistance | MERCK SHARP & DOHME LLC | 2009-07-09 | — | — | US | disclosed |
| EP-1756064-B1 | PYRAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE | MERCK & CO INC (US) | 2008-05-14 | — | — | EP | disclosed |
| EP-1756064-A2 | PYRAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE | Merck & Co., Inc. (US) | 2007-02-28 | — | — | EP | disclosed |
| WO-2005121097-A2 | PYRAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE | MERCK & CO., INC. (US) | 2005-12-22 | — | — | WO | disclosed |
| US-20050272794-A1 | Pyrazole derivatives, compositions containing such compounds and methods of use | MERCK SHARP & DOHME LLC | 2005-12-08 | — | — | US | disclosed |
| US-RE30739-E | ANTIDEPRESSANT | BEECHAM GROUP LIMITED (GB) | 1981-09-08 | — | — | US | disclosed |
| US-4153617-A | Anorexic chromans | BEECHAM GROUP LIMITED (GB) | 1979-05-08 | — | — | US | disclosed |
| US-4146539-A | MOOD MODIFYERS, ANTIDEPRESSANTS | BEECHAM GROUP LIMITED (GB) | 1979-03-27 | — | — | US | disclosed |
| US-4080335-A | Anorexic chromans | BEECHAM GROUP LIMITED (GB) | 1978-03-21 | — | — | US | 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 (2 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-20050272794-A1 | Pyrazole derivatives, compositions containing such compounds and methods of use | PC, GOT2, PNLIP | ALDH1A1 1729/4885HPGD 152/4885CYP1A2 84/4885 |
| US-20090176854-A1 | N-[4-((1S)-1-{3-(3,5-Dichlorophenyl)-5-[6-(trifluoromethoxy)-2-naphthyl]-1H-pyrazol-1-yl}ethyl)benzoyl]- beta -alanine; type 2 diabetes, hyperglycemia, or insulin resistance | GOT2, GOT1, IAPP | ALDH1A1 800/4885HPGD 995/4885CYP1A2 281/4885 |
“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.