Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DAO | P14920 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.33 |
| ▸ | RAB9A | P51151 | 3/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.32 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL8599345 | 0.71 | HTR2A (0.43) | DAOCYP1A2CYP2E1CYP3A4CYP2C8 | |
| SCHEMBL6639377 | 0.71 | DAO (0.47) | DAOCYP1A2CYP2E1CYP3A4CYP2C8 | |
| SCHEMBL6639145 | 0.70 | CYP1A2 (0.48) | DAOCYP1A2CYP2E1CYP3A4CYP2C8 | |
| SCHEMBL6636642 | 0.68 | DAO (0.47) | DAOCYP1A2CYP2E1CYP3A4CYP2C8 | |
| SCHEMBL8569773 | 0.68 | DAO (0.34) | DAOCYP1A2CYP2E1CYP3A4CYP2C8 | |
| SCHEMBL8125458 | 0.67 | HSP90AA1 (0.44) | DAOCYP1A2CYP2E1CYP3A4CYP2C8 | |
| SCHEMBL6643920 | 0.66 | RAB9A (0.56) | DAOCYP1A2CYP2E1CYP3A4CYP2C8 | |
| SCHEMBL6635668 | 0.66 | RAB9A (0.43) | CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6 | |
| SCHEMBL8571334 | 0.66 | CYP1A2 (0.44) | CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6 | |
| SCHEMBL24115475 | 0.65 | HTR2A (0.42) | CYP1A2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |