Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TTR | P02766 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CASP1 | P29466 | 2/20 | 0.36 |
| ▸ | CASP7 | P55210 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.35 |
| ▸ | TSHR | P16473 | 5/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | NT5E | P21589 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA4 | P22748 | 1/20 | 0.34 |
| ▸ | CA6 | P23280 | 1/20 | 0.34 |
| ▸ | CA5A | P35218 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL27590434 | 0.81 | CA1 (0.45) | TTRALOX15SMN1; SMN2CYP3A4CASP1 | |
| SCHEMBL3414041 | 0.79 | CYP3A4 (0.36) | ALOX15SMN1; SMN2CYP3A4CASP1CASP7 | |
| SCHEMBL692167 | 0.77 | TTR (0.38) | TTRSMN1; SMN2TSHRAURKAAURKB | |
| SCHEMBL483018 | 0.77 | SMN1; SMN2 (0.34) | ALOX15SMN1; SMN2CYP3A4ALDH1A1TSHR | |
| SCHEMBL691617 | 0.77 | ALDH1A1 (0.35) | ALOX15SMN1; SMN2CYP3A4CASP1ALDH1A1 | |
| SCHEMBL11800128 | 0.75 | ALDH1A1 (0.35) | TTRALOX15CYP3A4CASP1ALDH1A1 | |
| SCHEMBL696313 | 0.75 | TSHR (0.33) | SMN1; SMN2ALDH1A1TSHRCA1CA2 | |
| SCHEMBL4783755 | 0.75 | HTR6 (0.53) | ALOX15SMN1; SMN2CYP3A4CASP1CASP7 | |
| SCHEMBL5152547 | 0.72 | GABRA1 (0.39) | SMN1; SMN2ALDH1A1TSHRGAAMAPT | |
| SCHEMBL692395 | 0.72 | ALDH1A1 (0.43) | ALOX15SMN1; SMN2ALDH1A1TSHRHSD17B10 |
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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0778284-A2 | New 7-beta-substituted-4-aza-5alpha-androstan-3-ones as 5alpha-reductase inhibitors | MERCK & CO. INC. (US) | 1997-06-11 | — | — | EP | claimed |
| CN-1087092-A | Novel 7 beta-substituted-4-aza-5 alpha-androstan-3-ones as 5 alpha-reductase inhibitors | MERCK & CO INC (US) | 1994-05-25 | — | — | CN | claimed |
| EP-0572166-A1 | New 7beta-substituted-4-aza-5a-androstan-3-ones as 5a-reductase inhibitors | MERCK & CO. INC. (US) | 1993-12-01 | — | — | EP | claimed |
| WO-1993023420-A1 | NEW 7β-SUBSTITUTED-4-AZA-5α-ANDROSTAN-3-ONES AS 5α-REDUCTASE INHIBITORS | MERCK & CO., INC. (US) | 1993-11-25 | — | — | WO | claimed |
| WO-1993023039-A1 | SUBSTITUTED 4-AZA-5A-ANDROSTAN-ONES AS 5A-REDUCTASE INHIBITORS | MERCK & CO., INC. (US) | 1993-11-25 | — | — | WO | claimed |
| US-5151430-A | Specific 17β-thiobenzoyl-4-aza-5α-androst-1-en-3-ones as antiandrogen agents | MERCK & CO., INC. (US) | 1992-09-29 | — | — | US | claimed |
| CN-102781910-A | Alkylamine derivatives | AJINOMOTO KK | 2012-11-14 | — | — | CN | disclosed |
| US-20120217444-A1 | COMPOSITION AND METHOD FOR INHIBITING PREMATURE POLYMERIZATION | GENERAL ELECTRIC COMPANY | 2012-08-30 | — | — | US | disclosed |
| WO-2012033800-A1 | COMPOSITION AND METHOD FOR INHIBITING PREMATURE POLYMERIZATION | GENERAL ELECTRIC COMPANY (US) | 2012-03-15 | — | — | WO | disclosed |
| EP-0906257-B2 | MIXTURES CONTAINING MONOMERS AND STABILIZERS | BASF SE (DE) | 2010-04-07 | — | — | EP | disclosed |
| US-7462228-B2 | Water-base black ink composition and colored product | NIPPON KAYAKU KABUSHIKI KAISHA (JP) | 2008-12-09 | — | — | US | disclosed |
| EP-1602695-B1 | WATER-BASE BLACK INK COMPOSITION AND COLORED MATERIAL | NIPPON KAYAKU KK (JP) | 2008-04-23 | — | — | EP | disclosed |
| US-20060144288-A1 | Water-base black ink composition and colored material | NIPPON KAYAKU KABUSHIKI KAISHA (JP) | 2006-07-06 | — | — | US | disclosed |
| EP-0572166-A1 | New 7beta-substituted-4-aza-5a-androstan-3-ones as 5a-reductase inhibitors | MERCK & CO. INC. (US) | 1993-12-01 | — | — | EP | disclosed |
| WO-1993023039-A1 | SUBSTITUTED 4-AZA-5A-ANDROSTAN-ONES AS 5A-REDUCTASE INHIBITORS | MERCK & CO., INC. (US) | 1993-11-25 | — | — | WO | disclosed |
| WO-1993023420-A1 | NEW 7β-SUBSTITUTED-4-AZA-5α-ANDROSTAN-3-ONES AS 5α-REDUCTASE INHIBITORS | MERCK & CO., INC. (US) | 1993-11-25 | — | — | WO | disclosed |
| WO-1992018132-A1 | PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF BENIGN PROSTATIC HYPERPLASIA COMTAINING A 5 ALPHA-REDUCTASE INHIBITOR | MERCK & CO., INC. (US) | 1992-10-29 | — | — | WO | disclosed |
| WO-1992016213-A1 | PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF PROSTATIC HYPERPLASIA, CONTAINING A 5 ALPHA-REDUCTASE INHIBITOR AND AN ANTIANDROGEN | MERCK & CO., INC. (US) | 1992-10-01 | — | — | WO | disclosed |
| WO-1992016233-A1 | PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF PROSTATIC CANCER CONTAINING A 5 ALPHA REDUCTASE INHIBITOR AND AN ANTIANDROGEN | MERCK & CO., INC. (US) | 1992-10-01 | — | — | WO | disclosed |
| US-4906738-A | Water-soluble phenyl- or naphthyl-azo-carboxypyrazolone compounds, containing a fiber-reactive group with a chloratriazinyl moiety and a group of the vinylsulfone series in the pyrazolone coupling component, suitable as dyestuffs | HOECHST AKTIENGESELLSCHAFT (DE) | 1990-03-06 | — | — | 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 (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-20060144288-A1 | Water-base black ink composition and colored material | RB1, CDK11B, CDK13 | TTR 1039/4885ALOX15 2335/4885SMN1; SMN2 1415/4885 |
“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.