Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.70 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.70 |
| ▸ | EPHA2 | P29317 | 2/20 | 0.69 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.69 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.69 |
| ▸ | EFNA1 | P20827 | 1/20 | 0.69 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.69 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.69 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.69 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.69 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.69 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.69 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.69 |
| ▸ | MEN1 | O00255 | 1/20 | 0.69 |
| ▸ | LMNA | P02545 | 1/20 | 0.69 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.69 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.69 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.69 |
| ▸ | INPP5D | Q92835 | 1/20 | 0.69 |
| ▸ | CDC25A | P30304 | 5/20 | 0.60 |
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 | |
|---|---|---|---|---|
| SCHEMBL19866272 | 0.99 | CYP2D6 (0.71) | CYP2D6CYP2C19EPHA2AKR1B10AKR1B1 | |
| SCHEMBL7126727 | 0.99 | CYP2D6 (0.71) | CYP2D6CYP2C19EPHA2AKR1B10AKR1B1 | |
| SCHEMBL28008854 | 0.99 | CYP2D6 (0.71) | CYP2D6CYP2C19EPHA2AKR1B10AKR1B1 | |
| SCHEMBL4739596 | 0.99 | CYP2D6 (0.71) | CYP2D6CYP2C19EPHA2AKR1B10AKR1B1 | |
| SCHEMBL14676689 | 0.99 | CYP2D6 (0.71) | CYP2D6CYP2C19EPHA2AKR1B10AKR1B1 | |
| SCHEMBL135273 | 0.99 | CYP2D6 (0.71) | CYP2D6CYP2C19EPHA2AKR1B10AKR1B1 | |
| SCHEMBL28898907 | 0.99 | CYP2D6 (0.71) | CYP2D6CYP2C19EPHA2AKR1B10AKR1B1 | |
| SCHEMBL288945 | 0.99 | CYP2D6 (0.71) | CYP2D6CYP2C19EPHA2AKR1B10AKR1B1 | |
| Water SCHEMBL27578106 | 0.98 | CYP2D6 (0.70) | CYP2D6CYP2C19EPHA2AKR1B10AKR1B1 | |
| Methane SCHEMBL27524872 | 0.98 | CYP2D6 (0.70) | CYP2D6CYP2C19EPHA2AKR1B10AKR1B1 |
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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0786999-A4 | COMBINATION METHOD FOR ACNE TREATMENT | MERCK & CO INC (US) | 1999-01-20 | — | — | EP | disclosed |
| EP-0792371-A4 | COMBINATION METHOD FOR ACNE TREATMENT | MERCK & CO INC (US) | 1998-12-30 | — | — | EP | disclosed |
| US-5693809-A | PREGNANES FOR TREATING ALOPECIA, ACNE AND SKIN DISORDER | MERCK & CO., INC. (US) | 1997-12-02 | — | — | US | disclosed |
| EP-0572165-B1 | New 7B-substituted-4-aza-5a-cholestan-ones as 5a-reductase inhibitors | MERCK & CO INC (US) | 1997-09-17 | — | — | EP | disclosed |
| EP-0792371-A1 | COMBINATION METHOD FOR ACNE TREATMENT | Merck & Co., Inc. (US) | 1997-09-03 | — | — | EP | disclosed |
| EP-0786999-A1 | COMBINATION METHOD FOR ACNE TREATMENT | Merck & Co., Inc. (US) | 1997-08-06 | — | — | EP | disclosed |
| US-5578726-A | Process for producing 7 β-substituted-4-aza-5 α-androstan-3-ones | MERCK & CO., INC. (US) | 1996-11-26 | — | — | US | disclosed |
| US-5543417-A | 5 Alpha-reductase inhibitor and at least one of an antibacterial agent, a keratolytic agent or an anti-inflammatory agent | MERCK & CO., INC. (US) | 1996-08-06 | — | — | US | disclosed |
| US-5527807-A | TREATING ALOPECIA, ACNE, PROSTATE DISORDERS | MERCK & CO., INC. (US) | 1996-06-18 | — | — | US | disclosed |
| WO-1996012487-A1 | COMBINATION METHOD FOR ACNE TREATMENT | MERCK & CO., INC. (US) | 1996-05-02 | — | — | WO | disclosed |
| WO-1996012817-A1 | COMBINATION METHOD FOR ACNE TREATMENT | MERCK & CO., INC. (US) | 1996-05-02 | — | — | WO | disclosed |
| WO-1995013815-A1 | COMBINATION METHOD FOR THE TREATMENT OF PATTERNED ALOPECIA | MERCK & CO., INC. (US) | 1995-05-26 | — | — | WO | disclosed |
| WO-1995013077-A1 | 7β-SUBSTITUTED-4-AZA-5α-CHOLESTAN-3-ONES AS SELECTIVE 5α-REDUCTASE 1 INHIBITORS | MERCK & CO., INC. (US) | 1995-05-18 | — | — | WO | disclosed |
| CN-1085562-A | New 7 beta substitution-4-azepine-5 α-cholestanone is made the 5 inhibitor | MERCK & CO INC (US) | 1994-04-20 | — | — | CN | disclosed |
| CN-1084519-A | Prepare 7 β positions substituted-novel method of aza-5 alpha-androstane alkane-3-ketone | MERCK & CO INC (US) | 1994-03-30 | — | — | CN | disclosed |
| EP-0572165-A1 | New 7B-substituted-4-aza-5a-cholestan-ones as 5a-reductase inhibitors | MERCK & CO. INC. (US) | 1993-12-01 | — | — | EP | disclosed |
| WO-1993023376-A1 | NEW PROCESS FOR PRODUCING 7β-SUBSTITUTED-4-AZA-5α-ANDROSTAN-3-ONES | MERCK & CO., INC. (US) | 1993-11-25 | — | — | WO | disclosed |
| WO-1993023039-A1 | SUBSTITUTED 4-AZA-5A-ANDROSTAN-ONES AS 5A-REDUCTASE INHIBITORS | MERCK & CO., INC. (US) | 1993-11-25 | — | — | WO | disclosed |
| WO-1993023419-A1 | NEW 7β-SUBSTITUTED-4-AZA-5α-CHOLESTAN-ONES AS 5α-REDUCTASE INHIBITORS | MERCK & CO., INC. (US) | 1993-11-25 | — | — | WO | disclosed |
| US-5237064-A | Process for producing 7β-substituted-aza-5αandrostan-3-ones | MERCK & CO., INC. (US) | 1993-08-17 | — | — | US | disclosed |