Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.55 |
| ▸ | KCNQ2 | O43526 | 2/20 | 0.54 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.54 |
| ▸ | KCNQ4 | P56696 | 1/20 | 0.54 |
| ▸ | KCNQ5 | Q9NR82 | 1/20 | 0.54 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.49 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL11302948 | 0.90 | CYP1A2 (0.58) | CYP1A2CYP2C9CYP2C19ALDH1A1SMN1; SMN2 | |
| SCHEMBL14097681 | 0.88 | CYP1A2 (0.56) | CYP1A2CYP2C9CYP2C19ALDH1A1SMN1; SMN2 | |
| SCHEMBL2090279 | 0.87 | CYP1A2 (0.58) | CYP1A2CYP2C9CYP2C19ALDH1A1SMN1; SMN2 | |
| SCHEMBL5090952 | 0.86 | NPC1 (0.56) | ALDH1A1SMN1; SMN2KCNQ2KCNQ3KCNQ4 | |
| SCHEMBL11451154 | 0.83 | CYP1A2 (0.61) | CYP1A2CYP2C9CYP2C19ALDH1A1SMN1; SMN2 | |
| SCHEMBL978331 | 0.83 | GAA (0.49) | CYP1A2ALDH1A1SMN1; SMN2LMNAGAA | |
| SCHEMBL3106570 | 0.83 | KCNQ3 (0.67) | CYP1A2CYP2C9CYP2C19ALDH1A1KCNQ2 | |
| SCHEMBL30794991 | 0.83 | KCNQ3 (0.67) | CYP1A2CYP2C9CYP2C19ALDH1A1KCNQ2 | |
| SCHEMBL11140800 | 0.81 | HPGD (0.51) | CYP1A2CYP2C9CYP2C19ALDH1A1SMN1; SMN2 | |
| SCHEMBL7410024 | 0.81 | CYP1A2 (0.55) | CYP1A2CYP2C9CYP2C19ALDH1A1SMN1; SMN2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1218352-A1 | BENZIMIDAZOLONE DERIVATIVES HAVING MIXED SEROTONINE AND DOPAMINE RECEPTORS AFFINITY | BOEHRINGER INGELHEIM ITALIA S.p.A. (IT) | 2002-07-03 | — | — | EP | disclosed |
| US-6281218-B1 | USEFUL IN THE TREATMENT OF CNS DISORDERS. | INGELHEIM ITALIA S.P.A. (IT) | 2001-08-28 | — | — | US | disclosed |
| WO-2001021593-A1 | NEW BENZIMIDAZOLONE DERIVATIVES HAVING MIXED SEROTONINE AND DOPAMINE RECEPTORS AFFINITY | BOEHRINGER INGELHEIM ITALIA S.P.A. (IT) | 2001-03-29 | — | — | WO | disclosed |