Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | MITF | O75030 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CASP3 | P42574 | 1/20 | 0.37 |
| ▸ | CASP2 | P42575 | 1/20 | 0.37 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9768762 | 0.89 | NPC1 (0.40) | NPC1MITFRAB9AALDH1A1CA2 | |
| SCHEMBL9768766 | 0.88 | NPC1 (0.45) | NPC1MITFRAB9AALDH1A1TP53 | |
| SCHEMBL9768711 | 0.88 | NPC1 (0.45) | NPC1MITFRAB9AALDH1A1NR1I2 | |
| SCHEMBL9768779 | 0.88 | NPC1 (0.45) | NPC1MITFRAB9AALDH1A1NR1I2 | |
| SCHEMBL9768790 | 0.87 | NPC1 (0.46) | NPC1MITFRAB9AALDH1A1NR1I2 | |
| SCHEMBL9768718 | 0.87 | NR1I2 (0.46) | NPC1MITFRAB9AALDH1A1CA2 | |
| SCHEMBL9768904 | 0.84 | CYP1A2 (0.48) | NPC1MITFRAB9AALDH1A1CYP1A2 | |
| SCHEMBL9768684 | 0.83 | ALDH1A1 (0.50) | NPC1MITFRAB9AALDH1A1CA9 | |
| SCHEMBL9768760 | 0.83 | KDM4E (0.48) | NPC1MITFRAB9AALDH1A1CA2 | |
| SCHEMBL9768832 | 0.83 | MTNR1A (0.40) | CA2CA9TP53HSD11B1CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5011833-A | Antidepressant | A. MENARINI INDUSTRIE FARMACEUTICHE RIUNITE (IT) | 1991-04-30 | — | — | US | disclosed |
| EP-0354885-A1 | Novel derivatives of 6,11-dihydro-dibenzo[c,f][1,2,5]-thiadiazepine 5,5-dioxide, salts thereof and appropriate processes for the preparation thereof | A. MENARINI INDUSTRIE FARMACEUTICHE RIUNITE S.R.L. (IT) | 1990-02-14 | — | — | EP | disclosed |