Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.49 |
| ▸ | IDO1 | P14902 | 1/20 | 0.49 |
| ▸ | EGFR | P00533 | 1/20 | 0.39 |
| ▸ | TYMS | P04818 | 5/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | CASP7 | P55210 | 1/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.34 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL8319288 | 0.86 | TDP2 (0.40) | KDM4ECYP1A2CYP2C9IDO1EGFR | |
| SCHEMBL7709640 | 0.84 | TYMS (0.40) | KDM4ECYP1A2CYP2C9TYMSPOLB | |
| SCHEMBL7706686 | 0.71 | TYMS (0.44) | KDM4ECYP1A2CYP2C9TYMSPOLB | |
| SCHEMBL9079822 | 0.69 | TYMS (0.46) | KDM4ECYP1A2TYMSPOLBMEN1 | |
| SCHEMBL7706770 | 0.68 | KDM4E (0.63) | KDM4ETYMSMEN1KMT2AALDH1A1 | |
| SCHEMBL7703727 | 0.68 | TYMS (0.45) | KDM4ECYP1A2CYP2C9TYMSPOLB | |
| SCHEMBL8547705 | 0.66 | TYMS (0.46) | KDM4ECYP1A2CYP2C9TYMSPOLB | |
| SCHEMBL15580925 | 0.66 | MAOA (0.61) | KDM4ECYP1A2CYP2C9ALDH1A1CYP3A4 | |
| SCHEMBL29860722 | 0.66 | MAOA (0.61) | KDM4ECYP1A2CYP2C9ALDH1A1CYP3A4 | |
| SCHEMBL303302 | 0.66 | MAOA (0.61) | KDM4ECYP1A2CYP2C9ALDH1A1CYP3A4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6362181-B1 | BACTERICIDES; ENZYME INHIBITORS; ANTITUMOR AGENTS | WARNER-LAMBERT COMPANY | 2002-03-26 | — | — | US | disclosed |
| US-6177423-B1 | N-(HYDROXY OR PROTECTED HYDROXY)-BENZO(DE)ISOQUINOLINE-1,3-DIONE DERIVATIVES; BACTERIAL DNA GYRASE AND DNA TOPOISOMERASE INHIBITORS USEFUL FOR ANTIBACTERIAL AGENTS HAVING REDUCED DRUG RESISTANCE AND REDUCED SIDE EFFECTS | WARNER-LAMBERT COMPANY | 2001-01-23 | — | — | US | disclosed |
| EP-0939754-A2 | N-OXY-NAPHTHALIMIDES AS ANTIBACTERIAL AGENTS | WARNER-LAMBERT COMPANY (US) | 1999-09-08 | — | — | EP | disclosed |
| WO-1998019648-A2 | N-OXY-NAPHTHALIMIDES AS ANTIBACTERIAL AGENTS | WARNER-LAMBERT COMPANY (US) | 1998-05-14 | — | — | WO | disclosed |