Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | AKT1 | P31749 | 2/20 | 0.50 |
| ▸ | POLB | P06746 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | CES1 | P23141 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | ESRRB | O95718 | 1/20 | 0.47 |
| ▸ | SRC | P12931 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL275775 | 0.83 | KMT2A (0.67) | TSHRAKT1POLBKMT2AMEN1 | |
| SCHEMBL29035576 | 0.81 | KMT2A (0.64) | TSHRAKT1POLBKMT2AMEN1 | |
| Acetophenone SCHEMBL27504806 | 0.79 | TSHR (0.52) | TSHRAKT1POLBKMT2AMEN1 | |
| SCHEMBL12174503 | 0.79 | TSHR (0.52) | TSHRAKT1POLBKMT2AMEN1 | |
| SCHEMBL23466830 | 0.78 | KMT2A (0.59) | TSHRAKT1POLBKMT2AMEN1 | |
| SCHEMBL12225818 | 0.76 | TSHR (0.48) | TSHRAKT1POLBKMT2AMEN1 | |
| SCHEMBL1702760 | 0.76 | TSHR (0.48) | TSHRAKT1POLBKMT2AMEN1 | |
| SCHEMBL1702759 | 0.76 | TSHR (0.48) | TSHRAKT1POLBKMT2AMEN1 | |
| SCHEMBL28203125 | 0.76 | TSHR (0.48) | TSHRAKT1POLBKMT2AMEN1 | |
| Toluene SCHEMBL27742042 | 0.76 | LMNA (0.50) | TSHRAKT1POLBKMT2AMEN1 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0641208-B1 | 4-AZASTEROID 5-ALPHA-REDUCTASE INHIBITORS | MERCK & CO INC (US) | 2000-08-02 | — | — | EP | claimed |
| 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 |
| EP-0641208-A4 | 4-AZASTEROID 5-ALPHA-REDUCTASE INHIBITORS. | MERCK & CO INC (US) | 1995-08-30 | — | — | EP | claimed |
| EP-0641208-A1 | 4-AZASTEROID 5-ALPHA-REDUCTASE INHIBITORS | MERCK & CO. INC. (US) | 1995-03-08 | — | — | 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 |
| WO-1993023048-A1 | 4-AZASTEROID 5-ALPHA-REDUCTASE INHIBITORS | MERCK & CO., INC. (US) | 1993-11-25 | — | — | WO | claimed |
| EP-0641208-B1 | 4-AZASTEROID 5-ALPHA-REDUCTASE INHIBITORS | MERCK & CO INC (US) | 2000-08-02 | — | — | EP | disclosed |
| US-5620986-A | TREATS BENIGN PROSTATIC HYPERTROPHY, SEBORRHEA, FEMALE HIRSUTISM, AND MALE AND FEMALE PATTEN BALDNESS | MERCK & CO., INC. (US) | 1997-04-15 | — | — | US | disclosed |
| EP-0641208-A4 | 4-AZASTEROID 5-ALPHA-REDUCTASE INHIBITORS. | MERCK & CO INC (US) | 1995-08-30 | — | — | EP | disclosed |
| EP-0641208-A1 | 4-AZASTEROID 5-ALPHA-REDUCTASE INHIBITORS | MERCK & CO. INC. (US) | 1995-03-08 | — | — | EP | disclosed |
| WO-1993023048-A1 | 4-AZASTEROID 5-ALPHA-REDUCTASE INHIBITORS | MERCK & CO., INC. (US) | 1993-11-25 | — | — | WO | disclosed |