Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 4/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | AGXT | P21549 | 2/20 | 0.47 |
| ▸ | PNMT | P11086 | 2/20 | 0.47 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.45 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.45 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.45 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.44 |
| ▸ | HTR3B | O95264 | 2/20 | 0.44 |
| ▸ | HTR3A | P46098 | 2/20 | 0.44 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.44 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.44 |
| ▸ | CTBP2 | P56545 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL167780 | 0.82 | PNMT (0.56) | IDO1CYP3A4AGXTPNMTCHRM2 | |
| SCHEMBL27603356 | 0.81 | IDO1 (0.50) | IDO1CYP3A4AGXTPNMTCHRM2 | |
| SCHEMBL4083760 | 0.79 | PNMT (0.52) | IDO1CYP3A4AGXTPNMTCHRM2 | |
| SCHEMBL2796485 | 0.78 | IDO1 (0.47) | IDO1AGXTTAAR1ALDH1A1SMN1; SMN2 | |
| SCHEMBL27924055 | 0.78 | IDO1 (0.47) | IDO1AGXTTAAR1NPC1ALDH1A1 | |
| SCHEMBL16414237 | 0.78 | CCNB2 (0.50) | IDO1CYP3A4CHRM2CHRM1CHRM3 | |
| SCHEMBL30753807 | 0.78 | IDO1 (0.47) | IDO1TAAR1CTBP2 | |
| SCHEMBL16414236 | 0.78 | CCNB2 (0.50) | IDO1CYP3A4CHRM2CHRM1CHRM3 | |
| SCHEMBL1348922 | 0.78 | IDO1 (0.47) | IDO1TAAR1CTBP2 | |
| SCHEMBL6158452 | 0.77 | IDO1 (0.50) | IDO1CYP3A4AGXTPNMTCHRM2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-103382196-A | (E)-1-(8-benzopyranyl)-2-allyl-1-one and its analogues, and use thereof | UNIV SICHUAN | 2013-11-06 | — | — | CN | disclosed |
| US-4487772-A | CARDIOTONIC AGENTS | OTSUKA PHARMACEUTICAL CO. LTD. (JP) | 1984-12-11 | — | — | US | disclosed |
| US-4468402-A | Carbostyril derivatives, process for producing the same and cardiotonic compositions containing the same | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1984-08-28 | — | — | US | disclosed |
| US-4454130-A | CARDIOTONIC, HYPOTENSIVE AGENTS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1984-06-12 | — | — | US | disclosed |