Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | PNMT | P11086 | 2/20 | 0.50 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.47 |
| ▸ | LTA4H | P09960 | 1/20 | 0.47 |
| ▸ | IDO1 | P14902 | 2/20 | 0.46 |
| ▸ | AGXT | P21549 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | MAOA | P21397 | 1/20 | 0.45 |
| ▸ | MAOB | P27338 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL14931455 | 0.86 | GRIN2B (0.53) | CYP3A4CYP1A2CYP2D6CYP2C19GRIN2B | |
| SCHEMBL2093970 | 0.85 | PNMT (0.56) | CYP3A4GRIN2BLMNAPNMTTAAR1 | |
| SCHEMBL16504800 | 0.85 | LOXL2 (0.50) | CYP3A4LMNATAAR1IDO1AGXT | |
| SCHEMBL3300276 | 0.85 | PNMT (0.65) | CYP3A4PNMTTAAR1IDO1AGXT | |
| SCHEMBL3301781 | 0.83 | PNMT (0.58) | CYP3A4GRIN2BPNMTTAAR1IDO1 | |
| SCHEMBL5507487 | 0.82 | PNMT (0.77) | CYP3A4CYP1A2CYP2D6CYP2C19GRIN2B | |
| SCHEMBL8993096 | 0.82 | PNMT (0.52) | CYP3A4PNMTTAAR1LTA4HIDO1 | |
| SCHEMBL7929350 | 0.81 | TAAR1 (0.52) | CYP3A4SMN1; SMN2TAAR1IDO1AGXT | |
| Ammonia Solution, Strong SCHEMBL18010559 | 0.81 | PNMT (0.56) | CYP3A4GRIN2BPNMTTAAR1IDO1 | |
| SCHEMBL21384185 | 0.80 | TAAR1 (0.57) | CYP3A4PNMTTAAR1LTA4HIDO1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104045513-A | 4-substituted-1-chloro-2-(4-fluorobenzyl)benzene, its preparation method and application as intermediate in preparation of anti-type II diabetes drugs | IKON PHARMACEUTICALS LLC | 2014-09-17 | — | — | CN | disclosed |
| US-6951918-B2 | Peptidic procollagen C-proteinase inhibitors | SYNTEX (U.S.A.) LLC (US) | 2005-10-04 | — | — | US | disclosed |