Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.58 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7325213 | 1.00 | CYP1A2 (0.58) | CYP1A2CYP2C19CYP3A4CYP2C9HIF1A | |
| SCHEMBL7326694 | 0.89 | CYP1A2 (0.46) | CYP1A2CYP2C19CYP3A4CYP2C9HIF1A | |
| SCHEMBL7326691 | 0.89 | CYP1A2 (0.46) | CYP1A2CYP2C19CYP3A4CYP2C9HIF1A | |
| SCHEMBL10668624 | 0.84 | CYP1A2 (0.39) | CYP1A2CYP2C19CYP3A4CYP2C9HIF1A | |
| SCHEMBL10668611 | 0.84 | CYP1A2 (0.39) | CYP1A2CYP2C19CYP3A4CYP2C9HIF1A | |
| SCHEMBL7378697 | 0.83 | CYP1A2 (0.63) | CYP1A2CYP2C19CYP3A4CYP2C9HIF1A | |
| SCHEMBL7378695 | 0.83 | CYP1A2 (0.63) | CYP1A2CYP2C19CYP3A4CYP2C9HIF1A | |
| SCHEMBL15026426 | 0.82 | CA1 (0.46) | CYP1A2CYP2C19CYP3A4CYP2C9HIF1A | |
| SCHEMBL10662062 | 0.80 | KDM4E (0.52) | CYP1A2CYP2C19CYP3A4CYP2C9HIF1A | |
| SCHEMBL10661942 | 0.78 | MAPT (0.64) | RAB9AMEN1KMT2AGAAALDH1A1 |
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-4918074-A | CALCIUM ANTAGONISTS | YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) | 1990-04-17 | — | — | US | disclosed |
| EP-0217142-A2 | A polyazaheterocyclic compound | Yoshitomi Pharmaceutical Industries, Ltd. (JP) | 1987-04-08 | — | — | EP | disclosed |