Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | GALR3 | O60755 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.39 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.39 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.39 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 2/20 | 0.38 |
| ▸ | MAOB | P27338 | 2/20 | 0.38 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6799885 | 0.88 | ESR2 (0.38) | ESR2 | |
| SCHEMBL7465565 | 0.84 | ESR2 (0.44) | ESR2ALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL1207001 | 0.82 | ESR2 (0.46) | ESR2ALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL28633390 | 0.81 | LRRK2 (0.41) | ESR2ALDH1A1NPSR1KDM4EHPGD | |
| SCHEMBL28334386 | 0.81 | LRRK2 (0.41) | ESR2ALDH1A1NPSR1KDM4EHPGD | |
| SCHEMBL20774359 | 0.80 | CLK4 (0.45) | GABRG2GABRB3GABRA5GABRA3MAOB | |
| SCHEMBL223 | 0.76 | ESR2 (0.69) | ESR2ALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL29662886 | 0.76 | ESR2 (0.69) | ESR2ALDH1A1CYP1A2CYP2C9CYP2C19 | |
| Water SCHEMBL3178714 | 0.76 | ESR2 (0.69) | ESR2ALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL618853 | 0.76 | BACE1 (0.39) | ALDH1A1HPGDTDP1 |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102911128-A | Synthetic method of valsartan | SUZHOU TIANLV BIO PHARMACEUTICAL CO LTD | 2013-02-06 | — | — | CN | claimed |
| EP-2120569-B1 | SPIROCHROMANON DERIVATIVES | MERCK SHARP & DOHME (US) | 2013-08-14 | — | — | EP | disclosed |
| CN-102911128-A | Synthetic method of valsartan | SUZHOU TIANLV BIO PHARMACEUTICAL CO LTD | 2013-02-06 | — | — | CN | disclosed |
| US-8138197-B2 | Spirochromanon derivatives | MSD K.K. (JP) | 2012-03-20 | — | — | US | disclosed |
| EP-2120569-A2 | SPIROCHROMANON DERIVATIVES | Merck & Co., Inc. (US) | 2009-11-25 | — | — | EP | disclosed |
| US-20090270436-A1 | SPIROCHROMANON DERIVATIVES | MERCK SHARP & DOHME LLC | 2009-10-29 | — | — | US | disclosed |
| WO-2008088692-A2 | SPIROCHROMANON DERIVATIVES | MERCK & CO., INC. (US) | 2008-07-24 | — | — | WO | disclosed |
| EP-1244617-A1 | SUBSTITUTED AMINOALKYLAMIDE DERIVATIVES AS ANTAGONISTS OF FOLLICLE STIMULATING HORMONE | Ortho-McNeil Pharmaceutical, Inc. (US) | 2002-10-02 | — | — | EP | disclosed |
| WO-2001047875-A1 | SUBSTITUTED AMINOALKYLAMIDE DERIVATIVES AS ANTAGONISTS OF FOLLICLE STIMULATING HORMONE | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 2001-07-05 | — | — | WO | disclosed |
| CN-1058966-C | Producing process for crystal of 2-oxyethyl-1-[2'-(1H-tetrazole-5-radical)diphenyl-4-(methyl)benzimidazole-7-hydroxy acid 1-(cyclohexyloxy) ethyl ester | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2000-11-29 | — | — | CN | disclosed |
| CN-1048486-C | Benzimidazole derivatives and their preparation | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2000-01-19 | — | — | CN | disclosed |
| CN-1147515-A | Producing process for crystal of 2-oxyethyl-1-[2'-(1H-tetrazole-5-radical)diphenyl-4-(methyl)benzimidazole-7-hydroxy acid 1-(cyclohexyloxy) ethyl ester | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1997-04-16 | — | — | CN | disclosed |
| CN-1061973-A | Thienoimidazole derivatives and preparation method thereof and purposes | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1992-06-17 | — | — | CN | disclosed |
| CN-1055927-A | Benzimidazole derivatives, their preparation and use | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1991-11-06 | — | — | 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 (1 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-20090270436-A1 | SPIROCHROMANON DERIVATIVES | AKR1C3, CBR3, AKR1C4 | ESR2 708/4885ALDH1A1 113/4885CYP1A2 98/4885 |
“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.