Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.50 |
| ▸ | CA2 | P00918 | 3/20 | 0.50 |
| ▸ | NOS3 | P29474 | 2/20 | 0.50 |
| ▸ | NOS1 | P29475 | 2/20 | 0.50 |
| ▸ | NOS2 | P35228 | 2/20 | 0.50 |
| ▸ | CA12 | O43570 | 2/20 | 0.50 |
| ▸ | CA7 | P43166 | 2/20 | 0.50 |
| ▸ | CA9 | Q16790 | 2/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.50 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.50 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.50 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.50 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.50 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.50 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.50 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.50 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.50 |
| ▸ | CA4 | P22748 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| 1,2-Dimethoxybenzene SCHEMBL28118612 | 0.79 | CA1 (0.72) | CA1CA2CA12CA7CA9 | |
| SCHEMBL8383775 | 0.78 | NOS3 (0.47) | CA1CA2NOS3NOS1NOS2 | |
| SCHEMBL11387754 | 0.77 | ACHE (0.52) | SMN1; SMN2POLBKMT2AALDH1A1LMNA | |
| SCHEMBL5244489 | 0.76 | GRIN2D (0.62) | CA1CA2NOS3NOS1NOS2 | |
| Hydrochloric Acid SCHEMBL3720772 | 0.74 | NOS3 (0.63) | CA1CA2NOS3NOS1NOS2 | |
| 1,2-Dimethoxybenzene SCHEMBL27679751 | 0.74 | CA1 (0.72) | CA1CA2CA12CA7CA9 | |
| 1,2-Dimethoxybenzene SCHEMBL27898360 | 0.74 | CA1 (0.72) | CA1CA2CA12CA7CA9 | |
| SCHEMBL4533236 | 0.74 | SIGMAR1 (0.46) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL11374294 | 0.73 | SLC9A1 (0.39) | SMN1; SMN2HTTALDH1A1LMNAHPGD | |
| SCHEMBL944259 | 0.73 | CA1 (0.55) | CA1CA2NOS3NOS1NOS2 |
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 19 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 |
| US-5696266-A | HYDROGENATING DELTA-5-STEROIDAL ENELACTAM DISSOLVED IN SOLVENT IN PRESENCE OF RHODIUM CATALYST | MERCK & CO., INC. (US) | 1997-12-09 | — | — | 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 |