Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.36 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.36 |
| ▸ | TERT | O14746 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | TYMS | P04818 | 2/20 | 0.34 |
| ▸ | VDR | P11473 | 1/20 | 0.34 |
| ▸ | EGFR | P00533 | 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 | |
|---|---|---|---|---|
| SCHEMBL6961645 | 0.88 | HSP90B1 (0.33) | PTGER4 | |
| SCHEMBL6972918 | 0.86 | CA2 (0.35) | ALDH1A1KMT2ATYMSPTGER4 | |
| SCHEMBL6965090 | 0.86 | IDO1 (0.38) | LMNACYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7081207 | 0.86 | ALDH1A1 (0.40) | LMNACYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7084513 | 0.85 | LMNA (0.39) | LMNACYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7084710 | 0.83 | SMN1; SMN2 (0.40) | LMNACYP1A2CYP2C9CYP2C19HPGD | |
| SCHEMBL6974042 | 0.82 | TP53 (0.36) | LMNACYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7087095 | 0.81 | LMNA (0.38) | LMNACYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL6961944 | 0.81 | ALDH1A1 (0.40) | LMNACYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7084846 | 0.79 | — | — |
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-0786455-B1 | IMIDAZOLE DERIVATIVE | SHIONOGI & CO (JP) | 2003-12-03 | — | — | EP | disclosed |
| US-6147097-A | METHOD FOR TREATING AIDS | SHIONOGI & CO., LTD. (JP) | 2000-11-14 | — | — | US | disclosed |
| US-5910506-A | IMIDAZOLE DERIVATIVES, E.G.5-(3,5-DICHLOROPHENYLTHIO)-1,2-DIMETHYL-4-ISOPROPYL-1H-IMIDAZOLE; VIRICIDES; AIDS; NONTOXIC | SHIONOGI & CO., LTD. (JP) | 1999-06-08 | — | — | US | disclosed |