Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 1/20 | 0.54 |
| ▸ | CA1 | P00915 | 5/20 | 0.50 |
| ▸ | CA2 | P00918 | 5/20 | 0.50 |
| ▸ | ACHE | P22303 | 4/20 | 0.50 |
| ▸ | NPC1 | O15118 | 3/20 | 0.50 |
| ▸ | RAB9A | P51151 | 3/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | MGLL | Q99685 | 2/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL3783994 | 0.81 | MGLL (0.50) | CASP3CA1CA2NPC1RAB9A | |
| SCHEMBL7555126 | 0.80 | CASP3 (0.51) | CASP3CA1CA2ACHENPC1 | |
| SCHEMBL3784496 | 0.80 | MGLL (0.56) | CASP3CA1CA2NPC1RAB9A | |
| SCHEMBL7554216 | 0.79 | KMT2A (0.53) | CASP3CA1CA2ACHENPC1 | |
| SCHEMBL5112374 | 0.78 | CA12 (0.47) | CA1CA2SMN1; SMN2POLBKMT2A | |
| SCHEMBL27943694 | 0.78 | MGLL (0.56) | NPC1RAB9ASMN1; SMN2MGLLPOLB | |
| SCHEMBL4210145 | 0.78 | KMT2A (0.56) | CA1CA2ACHENPC1RAB9A | |
| SCHEMBL11694836 | 0.78 | TP53 (0.57) | NPC1RAB9ASMN1; SMN2MGLLPOLB | |
| SCHEMBL5233194 | 0.77 | NPC1 (0.51) | CASP3CA1CA2ACHENPC1 | |
| SCHEMBL3784676 | 0.77 | MGLL (0.49) | CASP3CA1CA2NPC1RAB9A |
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 4 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 |
| EP-0285000-A2 | Chromogene compounds, their manufacture and use as enzyme substrates | Roche Diagnostics GmbH (DE) | 1988-10-05 | — | — | EP | disclosed |