Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | BRAF | P15056 | 1/20 | 0.38 |
| ▸ | PPARA | Q07869 | 1/20 | 0.35 |
| ▸ | HRH2 | P25021 | 1/20 | 0.33 |
| ▸ | HRH1 | P35367 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.32 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | IDO1 | P14902 | 1/20 | 0.32 |
| ▸ | KDR | P35968 | 1/20 | 0.32 |
| ▸ | TUBB4A | P04350 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1829400 | 0.92 | — | — | |
| SCHEMBL30935373 | 0.90 | CYP1A2 (0.44) | CYP3A4CYP2C9CYP1A2CYP2D6CYP19A1 | |
| Hydrochloric Acid SCHEMBL5679694 | 0.90 | CYP1A2 (0.44) | CYP3A4CYP2C9CYP1A2CYP2D6CYP19A1 | |
| SCHEMBL720957 | 0.84 | ALDH1A1 (0.50) | CYP3A4CYP2C9CYP1A2CYP2D6CYP19A1 | |
| SCHEMBL21277361 | 0.82 | ALDH1A1 (0.47) | CYP3A4CYP2C9CYP1A2CYP2D6CYP19A1 | |
| SCHEMBL28306614 | 0.82 | ALDH1A1 (0.47) | CYP3A4CYP2C9CYP1A2CYP2D6CYP19A1 | |
| SCHEMBL3691479 | 0.81 | CYP1A2 (0.46) | CYP3A4CYP2C9CYP1A2CYP2D6CYP19A1 | |
| SCHEMBL30106409 | 0.78 | ACHE (0.44) | KMT2AALDH1A1IDO1NOTUMNPC1 | |
| Pyridine SCHEMBL28171033 | 0.78 | NOTUM (0.50) | CYP3A4CYP2C9CYP1A2CYP2D6CYP19A1 | |
| SCHEMBL20704975 | 0.75 | ESR1 (0.55) | CYP3A4CYP2C9CYP1A2CYP2D6CYP19A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5763631-A | CIS-EPOXIDE COMPOUNDS; ANTIVIRUS AGENTS; USEFUL TO TREAT THE AIDS | LUCKY LIMITED (KR) | 1998-06-09 | — | — | US | disclosed |
| US-5744621-A | CIS-EPOXIDE COMPOUNDS | LUCKY LIMITED. (KR) | 1998-04-28 | — | — | US | disclosed |
| EP-0601486-B1 | Cis-epoxide derivatives useful as irreversible HIV protease inhibitors and process and intermediates for their preparation | LUCKY LTD (KR) | 1997-10-29 | — | — | EP | disclosed |
| US-5587388-A | AIDS; VIRICIDES | LUCKY LIMITED (KR) | 1996-12-24 | — | — | US | disclosed |
| EP-0601486-A1 | Cis-epoxide derivatives useful as irreversible HIV protease inhibitors and process and intermediates for their preparation | LUCKY LTD. (KR) | 1994-06-15 | — | — | EP | disclosed |