Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | BCL2A1 | Q16548 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.35 |
| ▸ | HTR3B | O95264 | 1/20 | 0.35 |
| ▸ | HTR3A | P46098 | 1/20 | 0.35 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.35 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.35 |
| ▸ | RORC | P51449 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL8008925 | 0.85 | TSHR (0.41) | ALDH1A1KMT2AKDM4ELMNATSHR | |
| SCHEMBL6256662 | 0.79 | CES2 (0.41) | CES2CES1ALDH1A1CYP1A2KMT2A | |
| SCHEMBL3265387 | 0.76 | CES2 (0.39) | CES2CES1ALDH1A1CYP1A2KMT2A | |
| SCHEMBL7184269 | 0.73 | KMT2A (0.38) | CES2CES1ALDH1A1CYP1A2KMT2A | |
| SCHEMBL8008878 | 0.73 | GABRA1 (0.38) | ALDH1A1POLBKDM4ELMNATSHR | |
| SCHEMBL28757170 | 0.73 | NPSR1 (0.47) | CES2CES1ALDH1A1CYP1A2KMT2A | |
| SCHEMBL2180805 | 0.73 | TP53 (0.44) | ALDH1A1BCL2A1 | |
| SCHEMBL1821350 | 0.72 | UTS2R (0.41) | ALDH1A1KMT2ABCL2A1POLBRORC | |
| 1,2-Dichlorobenzene SCHEMBL11828109 | 0.71 | TSHR (0.56) | CES2CES1ALDH1A1CYP1A2KMT2A | |
| SCHEMBL2913048 | 0.71 | L3MBTL1 (0.41) | CES2CES1ALDH1A1POLBRORC |
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 18 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 |
| US-5998464-A | 4-Oxa and 4-thia steroids | MERCK & CO., INC. (US) | 1999-12-07 | — | — | US | claimed |
| US-5817802-A | IN IONIZING MEDIUM WITH A TRIALKYLSILANE | MERCK & CO., INC. (US) | 1998-10-06 | — | — | US | 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 |
| EP-0858455-A4 | 4-OXA AND 4-THIA STEROIDS | MERCK & CO INC (US) | 2000-04-12 | — | — | EP | disclosed |
| 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 |
| EP-0858455-A1 | 4-OXA AND 4-THIA STEROIDS | Merck & Co., Inc. (US) | 1998-08-19 | — | — | EP | 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-1997015564-A1 | 4-OXA AND 4-THIA STEROIDS | MERCK & CO., INC. (US) | 1997-05-01 | — | — | WO | 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 |