Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | KDM1A | O60341 | 5/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | SAT1 | P21673 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.33 |
| ▸ | LPAR1 | Q92633 | 1/20 | 0.32 |
| ▸ | LPAR3 | Q9UBY5 | 1/20 | 0.32 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5353084 | 0.86 | CYP2C19 (0.50) | CYP2C19CYP1A2KDM1AMEN1GLA | |
| SCHEMBL20207809 | 0.81 | CYP2C19 (0.55) | CYP2C19CYP1A2KDM1AMEN1GLA | |
| SCHEMBL10281215 | 0.78 | CYP2C19 (0.57) | CYP2C19CYP1A2KDM1AMEN1GLA | |
| SCHEMBL28000379 | 0.77 | CYP2C19 (0.50) | CYP2C19CYP1A2KDM1AMEN1GLA | |
| SCHEMBL19781407 | 0.77 | CYP2C19 (0.50) | CYP2C19CYP1A2KDM1AMEN1GLA | |
| SCHEMBL22374231 | 0.77 | CYP2C19 (0.50) | CYP2C19CYP1A2KDM1AMEN1GLA | |
| SCHEMBL20351359 | 0.77 | CYP2C19 (0.50) | CYP2C19CYP1A2KDM1AMEN1GLA | |
| SCHEMBL331540 | 0.77 | CYP2C19 (0.80) | CYP2C19CYP1A2KDM1AMEN1GLA | |
| SCHEMBL7089751 | 0.77 | CYP2C19 (0.80) | CYP2C19CYP1A2KDM1AMEN1GLA | |
| SCHEMBL331498 | 0.77 | CYP2C19 (0.80) | CYP2C19CYP1A2KDM1AMEN1GLA |
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 |
|---|---|---|---|---|---|---|---|
| US-5405997-A | Stable against rapid metabolism | THE UPJOHN COMPANY (US) | 1995-04-11 | — | — | US | disclosed |