Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | GLA | P06280 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | STAT6 | P42226 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.30 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4739384 | 0.80 | PARP1 (0.35) | ALDH1A1 | |
| SCHEMBL4574787 | 0.73 | MEN1 (0.33) | ALDH1A1GAAKMT2A | |
| SCHEMBL4963781 | 0.73 | CTNNB1 (0.35) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL4965043 | 0.73 | CTSA (0.33) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL4962044 | 0.73 | CTSA (0.33) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL4962050 | 0.73 | CTSA (0.33) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL4737338 | 0.71 | KDM4E (0.36) | KDM4EALDH1A1GAAKMT2A | |
| SCHEMBL4738352 | 0.71 | PARP1 (0.35) | ALDH1A1 | |
| SCHEMBL5138943 | 0.70 | CXCR2 (0.33) | KDM4EALDH1A1HIF1A | |
| SCHEMBL4664643 | 0.70 | CXCR2 (0.33) | KDM4EALDH1A1HIF1A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008074858-A1 | INTERMEDIATES AND PROCESS FOR THE PRODUCTION OF 5-SUBSTITUTED TRICYCLIC BENZIMIDAZOLES | NYCOMED GMBH (DE) | 2008-06-26 | — | — | WO | disclosed |