Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.62 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.62 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.62 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.62 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.62 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.60 |
| ▸ | PLAU | P00749 | 1/20 | 0.56 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.54 |
| ▸ | HPGD | P15428 | 3/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | THRB | P10828 | 1/20 | 0.53 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.53 |
| ▸ | RECQL | P46063 | 1/20 | 0.53 |
| ▸ | BLM | P54132 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL7448662 | 0.84 | HPGD (0.53) | CYP2D6HPGDALDH1A1MEN1POLB | |
| SCHEMBL7452674 | 0.81 | RAB9A (0.65) | PLAUHDAC1HPGDALDH1A1KDM4E | |
| SCHEMBL7456577 | 0.79 | KDM4E (0.64) | CYP2D6ADORA3ADORA2AADORA2BADORA1 | |
| SCHEMBL27306157 | 0.78 | CYP2D6 (0.76) | CYP2D6ADORA3ADORA2AADORA2BADORA1 | |
| SCHEMBL13491477 | 0.77 | CYP2D6 (0.74) | CYP2D6ADORA3ADORA2AADORA2BADORA1 | |
| SCHEMBL21177838 | 0.77 | CYP2D6 (1.00) | CYP2D6CYP2C9CYP2C19PLAUHDAC1 | |
| SCHEMBL7506844 | 0.76 | NPC1 (0.44) | CYP2D6CYP2C9CYP2C19PLAUHPGD | |
| SCHEMBL7481830 | 0.75 | ADORA3 (0.57) | CYP2D6ADORA3ADORA2AADORA2BADORA1 | |
| SCHEMBL7451636 | 0.75 | MEN1 (0.51) | HPGDALDH1A1KDM4EMEN1POLB | |
| SCHEMBL13491634 | 0.75 | CYP2D6 (0.71) | CYP2D6ADORA3ADORA2AADORA2BADORA1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001027096-A9 | AMINOMETHYL-(HETERO)ARYL DERIVATIVES AND THEIR USE AS TRYPTASE INHIBITORS | PROTHERICS MOLECULAR DESIGN LT (GB) | 2001-07-12 | — | — | WO | disclosed |