Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DAO | P14920 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.38 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.35 |
| ▸ | DCUN1D1 | Q96GG9 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5634282 | 0.88 | RAB9A (0.44) | ADORA3NPC1HPGDRAB9ASMN1; SMN2 | |
| SCHEMBL6634792 | 0.76 | ALDH1A1 (0.44) | DAOCYP1A2CYP2A6NPC1HPGD | |
| SCHEMBL6643920 | 0.75 | RAB9A (0.56) | DAOCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL6639377 | 0.74 | DAO (0.47) | DAOCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL114060 | 0.73 | RAB9A (0.62) | ADORA3NPC1HPGDRAB9ASMN1; SMN2 | |
| SCHEMBL114057 | 0.73 | RAB9A (0.44) | CYP1A2CYP2C9CYP2C19ADORA3NPC1 | |
| SCHEMBL6639172 | 0.72 | CXCR2 (0.47) | DAOCYP1A2PDE7ANPC1RAB9A | |
| SCHEMBL6639145 | 0.71 | CYP1A2 (0.48) | DAOCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL9092866 | 0.71 | DAO (0.49) | DAOCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL6635400 | 0.70 | L3MBTL1 (0.45) | DAOCYP1A2CYP3A4CYP2C9CYP2C19 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0824524-B1 | ALPHA-SUBSTITUTED PYRIMIDINE-THIOALKYL AND ALKYLETHER COMPOUNDS AS INHIBITORS OF VIRAL REVERSE TRANSCRIPTASE | UPJOHN CO (US) | 2004-09-08 | — | — | EP | disclosed |
| EP-0824524-A1 | ALPHA-SUBSTITUTED PYRIMIDINE-THIOALKYL AND ALKYLETHER COMPOUNDS AS INHIBITORS OF VIRAL REVERSE TRANSCRIPTASE | PHARMACIA & UPJOHN COMPANY (US) | 1998-02-25 | — | — | EP | disclosed |
| WO-1996035678-A1 | ALPHA-SUBSTITUTED PYRIMIDINE-THIOALKYL AND ALKYLETHER COMPOUNDS AS INHIBITORS OF VIRAL REVERSE TRANSCRIPTASE | PHARMACIA & UPJOHN COMPANY (US) | 1996-11-14 | — | — | WO | disclosed |