Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | NT5E | P21589 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.34 |
| ▸ | IGF1R | P08069 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | FABP4 | P15090 | 2/20 | 0.33 |
| ▸ | FABP5 | Q01469 | 2/20 | 0.33 |
| ▸ | PDE4A | P27815 | 1/20 | 0.33 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.33 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.33 |
| ▸ | PDE11A | Q9HCR9 | 1/20 | 0.33 |
| ▸ | FABP3 | P05413 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | BCHE | P06276 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL16833120 | 0.90 | CYP1A2 (0.43) | CYP1A2CYP2D6NPSR1NT5EFABP4 | |
| SCHEMBL10965843 | 0.84 | KMT2A (0.47) | MEN1KMT2AMAPTL3MBTL1 | |
| SCHEMBL10972715 | 0.82 | NT5E (0.45) | CYP1A2CYP2D6NPSR1NT5EMEN1 | |
| SCHEMBL10969359 | 0.80 | CYP1A2 (0.43) | CYP1A2CYP2D6NPSR1NT5EMEN1 | |
| SCHEMBL10974907 | 0.76 | NT5E (0.44) | CYP1A2CYP2D6NPSR1NT5EMEN1 | |
| SCHEMBL11043654 | 0.76 | CYP1A2 (0.41) | CYP1A2CYP2D6NPSR1NT5EMEN1 | |
| SCHEMBL10824100 | 0.72 | BCHE (0.38) | CYP1A2CYP2D6NPSR1NT5EMEN1 | |
| SCHEMBL10507026 | 0.70 | BCHE (0.37) | CYP1A2CYP2D6NPSR1NT5EMEN1 | |
| SCHEMBL10505509 | 0.70 | BCHE (0.37) | CYP1A2CYP2D6NPSR1NT5EMEN1 | |
| SCHEMBL11289917 | 0.70 | CYP2D6 (0.46) | CYP1A2CYP2D6MEN1KMT2AMAPT |
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-4429130-A | Pyrid-2'-yl-2-trifluoromethyl quinol-4-ylmethanes | BASF AKTIENGESELLSCHAFT (DE) | 1984-01-31 | — | — | US | disclosed |