Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | AR | P10275 | 2/20 | 0.38 |
| ▸ | XDH | P47989 | 1/20 | 0.37 |
| ▸ | THRA | P10827 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | PLK1 | P53350 | 4/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL7058481 | 0.79 | MAOA (0.50) | MAOAMAOBARXDHTHRA | |
| SCHEMBL5887468 | 0.76 | MAOA (0.62) | MAOAMAOBARXDHTHRA | |
| SCHEMBL9344482 | 0.76 | MAOA (0.47) | MAOAMAOBARXDHTHRA | |
| Cyanide SCHEMBL28096799 | 0.75 | MAOA (0.46) | MAOAMAOBARXDHTHRA | |
| SCHEMBL16301153 | 0.74 | NPC1 (0.47) | MAOAMAOBARTHRATHRB | |
| SCHEMBL3405047 | 0.74 | ALDH1A1 (0.50) | MAOAMAOBARXDHTHRA | |
| SCHEMBL15070049 | 0.73 | TSHR (0.46) | CYP1A2MAPTCA1CA2ALDH1A1 | |
| SCHEMBL15086078 | 0.73 | THRA (0.47) | MAOAMAOBTHRATHRBCYP1A2 | |
| SCHEMBL5541499 | 0.71 | MAOA (0.53) | MAOAMAOBARXDHTHRA | |
| SCHEMBL1774301 | 0.71 | CYP2C19 (0.41) | CYP3A4CYP2C19MAPTALDH1A1NPC1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2585216-B1 | PI-ALLYLPALLADIUM AND PI-ALLYLNICKEL COMPLEXES FOR USE AS CATALYSTS IN CARBON-CARBON AND CARBON-NITROGEN COUPLING REACTIONS | JOHNSON MATTHEY PLC (GB) | 2019-11-20 | — | — | EP | disclosed |