Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | MTOR | P42345 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | APP | P05067 | 1/20 | 0.41 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 4/20 | 0.40 |
| ▸ | CA2 | P00918 | 4/20 | 0.40 |
| ▸ | CA9 | Q16790 | 4/20 | 0.40 |
| ▸ | CA1 | P00915 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | HTR6 | P50406 | 1/20 | 0.38 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | CA3 | P07451 | 1/20 | 0.35 |
| ▸ | CA4 | P22748 | 1/20 | 0.35 |
| ▸ | CA6 | P23280 | 1/20 | 0.35 |
| ▸ | CA5A | P35218 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL10675096 | 0.75 | NPC1 (0.45) | NPC1MTORRAB9AAPPCA12 | |
| SCHEMBL28700018 | 0.75 | NPC1 (0.68) | NPC1MTORRAB9AAPPKEAP1 | |
| SCHEMBL10433744 | 0.74 | TSHR (0.46) | NPC1MTORRAB9AAPPCA12 | |
| SCHEMBL10680617 | 0.73 | NPC1 (0.43) | NPC1MTORRAB9AAPPCA12 | |
| SCHEMBL10698477 | 0.72 | HTR6 (0.48) | NPC1MTORRAB9AAPPKEAP1 | |
| Diphenylacetylene SCHEMBL27721387 | 0.72 | APP (0.60) | NPC1MTORRAB9AAPPKEAP1 | |
| Benzonitrile SCHEMBL8526292 | 0.69 | TSHR (0.64) | NPC1MTORRAB9ACA12CA2 | |
| Benzonitrile SCHEMBL28017673 | 0.69 | TSHR (0.64) | NPC1MTORRAB9AKEAP1CA12 | |
| SCHEMBL7567240 | 0.67 | CA12 (0.64) | NPC1MTORRAB9AAPPCA12 | |
| Benzonitrile SCHEMBL8526302 | 0.67 | TSHR (0.61) | NPC1MTORRAB9AKEAP1CA2 |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0858455-A4 | 4-OXA AND 4-THIA STEROIDS | MERCK & CO INC (US) | 2000-04-12 | — | — | EP | claimed |
| EP-0858455-A1 | 4-OXA AND 4-THIA STEROIDS | Merck & Co., Inc. (US) | 1998-08-19 | — | — | EP | claimed |
| US-5777134-A | 4-oxa and 4-thia steriods | MERCK & CO., INC. (US) | 1998-07-07 | — | — | US | claimed |
| WO-1997015564-A1 | 4-OXA AND 4-THIA STEROIDS | MERCK & CO., INC. (US) | 1997-05-01 | — | — | WO | claimed |
| WO-1996007643-A1 | PROCESS FOR THE STEREOSELECTIVE REDUCTION OF STEROID ENELACTAMS | MERCK & CO., INC. (US) | 1996-03-14 | — | — | WO | claimed |
| US-5998464-A | 4-Oxa and 4-thia steroids | MERCK & CO., INC. (US) | 1999-12-07 | — | — | US | disclosed |
| US-5932559-A | Treatment of hyperandrogenic conditions | MERCK & CO., INC. (US) | 1999-08-03 | — | — | US | disclosed |
| US-5817802-A | IN IONIZING MEDIUM WITH A TRIALKYLSILANE | MERCK & CO., INC. (US) | 1998-10-06 | — | — | US | disclosed |
| US-5777134-A | 4-oxa and 4-thia steriods | MERCK & CO., INC. (US) | 1998-07-07 | — | — | US | disclosed |
| US-5756480-A | Treatment of hyperandrogenic conditions | MERCK & CO., INC. (US) | 1998-05-26 | — | — | US | disclosed |
| US-5696266-A | HYDROGENATING DELTA-5-STEROIDAL ENELACTAM DISSOLVED IN SOLVENT IN PRESENCE OF RHODIUM CATALYST | MERCK & CO., INC. (US) | 1997-12-09 | — | — | US | disclosed |
| WO-1997015305-A1 | TREATMENT OF HYPERANDROGENIC CONDITIONS | MERCK & CO., INC. (US) | 1997-05-01 | — | — | WO | disclosed |
| WO-1996007643-A1 | PROCESS FOR THE STEREOSELECTIVE REDUCTION OF STEROID ENELACTAMS | MERCK & CO., INC. (US) | 1996-03-14 | — | — | WO | disclosed |
| EP-0286970-A2 | Alpha-methyl-sulfonyl-benzaldoxime derivatives | BAYER AG (DE) | 1988-10-19 | — | — | EP | disclosed |
| EP-0286964-A2 | Alpha-methyl-sulfonyl-benzadoxime carbamate | BAYER AG (DE) | 1988-10-19 | — | — | EP | disclosed |
| US-4735959-A | HYPOGLYCEMIC AGENTS | DR. KARL THOMAE GMBH (DE) | 1988-04-05 | — | — | US | disclosed |