Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | MPO | P05164 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | PLOD2 | O00469 | 2/20 | 0.34 |
| ▸ | PLOD3 | O60568 | 2/20 | 0.34 |
| ▸ | PLOD1 | Q02809 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | KDM4D | Q6B0I6 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7560833 | 0.82 | HDAC3 (0.45) | NAPRTCYP1A2CYP2C19CYP3A4CYP2D6 | |
| Bromide SCHEMBL11344288 | 0.80 | HDAC3 (0.44) | CYP1A2CYP2C19CYP3A4CYP2D6ALDH1A1 | |
| SCHEMBL15964612 | 0.80 | CYP1A2 (0.34) | NAPRTCYP1A2CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL4631326 | 0.79 | NAAA (0.50) | CYP1A2CYP2C19CYP3A4CYP2D6KDM4E | |
| SCHEMBL4629983 | 0.79 | NAAA (0.50) | CYP1A2CYP2C19CYP3A4CYP2D6KDM4E | |
| SCHEMBL9000500 | 0.78 | MAOA (0.47) | ALDH1A1HDAC3HDAC1HDAC2LMNA | |
| SCHEMBL6522858 | 0.78 | NAPRT (0.42) | NAPRTCYP1A2CYP2C19CYP3A4CYP2D6 | |
| Bromide SCHEMBL11348026 | 0.77 | NAAA (0.49) | CYP1A2CYP2C19CYP3A4CYP2D6KDM4E | |
| Bromide SCHEMBL28663673 | 0.77 | NAAA (0.49) | CYP1A2CYP2C19CYP3A4CYP2D6KDM4E | |
| SCHEMBL29209640 | 0.75 | MAOA (0.40) | CYP2C19CYP2D6HDAC3HDAC1HDAC2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5447942-A | Treatment of bronchoconstriction | SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) | 1995-09-05 | — | — | US | disclosed |