Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 1/20 | 0.55 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 9/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.51 |
| ▸ | CYP2B6 | P20813 | 5/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.51 |
| ▸ | AHR | P35869 | 3/20 | 0.51 |
| ▸ | NR1I3 | Q14994 | 3/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.51 |
| ▸ | VDR | P11473 | 2/20 | 0.51 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.51 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.51 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.51 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.51 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.50 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.50 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.49 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.48 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL27651329 | 0.88 | BRD4 (0.46) | BRD4GPR84CYP1A2CYP2C9CYP3A4 | |
| SCHEMBL2020140 | 0.85 | ABL1 (0.59) | BRD4CYP1A2CYP2C9CYP3A4CYP2B6 | |
| SCHEMBL9538506 | 0.84 | GPR84 (0.59) | BRD4GPR84CYP1A2CYP2C9CYP3A4 | |
| SCHEMBL13241142 | 0.83 | GPR84 (0.52) | BRD4GPR84CYP1A2CYP2C9CYP3A4 | |
| SCHEMBL13241136 | 0.83 | MAOB (0.56) | BRD4GPR84CYP1A2CYP2C9CYP3A4 | |
| Methyl Alcohol SCHEMBL29235314 | 0.83 | CYP11B1 (0.65) | CYP1A2CYP2C9CYP3A4CYP2B6CYP2D6 | |
| SCHEMBL13241148 | 0.83 | MAOB (0.52) | BRD4GPR84CYP1A2CYP2C9CYP3A4 | |
| SCHEMBL14134369 | 0.83 | CYP1A2 (0.50) | BRD4GPR84CYP1A2CYP2C9CYP3A4 | |
| SCHEMBL312278 | 0.82 | KMT2A (0.56) | BRD4GPR84CYP1A2CYP2C9CYP3A4 | |
| SCHEMBL13241129 | 0.82 | BRD4 (0.51) | BRD4CYP1A2CYP2C9CYP3A4CYP2B6 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102958892-A | Method for preparing chemical compounds of interest by aromatic nucleophilic substitution | CENTRE NAT RECH SCIENT | 2013-03-06 | — | — | CN | disclosed |
| EP-1313560-B1 | CATALYST FOR AROMATIC C-O, C-N, and C-C BOND FORMATION | UNIV YALE (US) | 2007-12-19 | — | — | EP | disclosed |
| EP-1313560-A4 | CATALYST FOR AROMATIC C-O, C-N, and C-C BOND FORMATION | UNIV YALE (US) | 2005-02-09 | — | — | EP | disclosed |
| EP-1313560-A1 | CATALYST FOR AROMATIC C-O, C-N, and C-C BOND FORMATION | YALE UNIVERSITY (US) | 2003-05-28 | — | — | EP | disclosed |
| US-6562989-B2 | Bicyclopentyl iron ligand and transition metal catalyst | YALE UNIVERSITY | 2003-05-13 | — | — | US | disclosed |
| US-20030008768-A1 | Catalyst for aromatic C-O, C-N, and C-C bond formation | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2003-01-09 | — | — | US | disclosed |
| WO-2002011883-A1 | CATALYST FOR AROMATIC C-O, C-N, and C-C BOND FORMATION | YALE UNIVERSITY (US) | 2002-02-14 | — | — | WO | disclosed |
| EP-0532531-A1 | PHENOL AND PYRIDINOL DERIVATIVES AS PHARMACEUTICALS | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1993-03-24 | — | — | EP | disclosed |
| WO-1991017987-A1 | PHENOL AND PYRIDINOL DERIVATIVES AS PHARMACEUTICALS | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1991-11-28 | — | — | WO | disclosed |