Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | CREBBP | Q92793 | 2/20 | 0.42 |
| ▸ | BRD4 | O60885 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | GLS | O94925 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.39 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.39 |
| ▸ | IKZF3 | Q9UKT9 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8905140 | 0.82 | CYP2C9 (0.42) | CYP1A2CYP2C9CYP2C19CREBBPBRD4 | |
| SCHEMBL15254386 | 0.81 | CYP1A2 (0.48) | CYP1A2CYP2C9CYP2C19ALDH1A1CA12 | |
| SCHEMBL15254389 | 0.81 | CYP1A2 (0.48) | CYP1A2CYP2C9CYP2C19ALDH1A1CA12 | |
| SCHEMBL24660006 | 0.77 | CYP1A2 (0.47) | CYP1A2CYP2C9CYP2C19ALDH1A1CA12 | |
| SCHEMBL8906008 | 0.77 | MTNR1A (0.47) | CYP1A2CYP2C9CYP2C19ALDH1A1ACHE | |
| SCHEMBL8799164 | 0.76 | PARP1 (0.48) | CYP1A2ALDH1A1TDP1 | |
| SCHEMBL8343472 | 0.76 | CYP1A2 (0.42) | CYP1A2CYP2C9CYP2C19ALDH1A1CA12 | |
| SCHEMBL5836994 | 0.76 | CYP2C9 (0.42) | CYP1A2CYP2C9CYP2C19ALDH1A1CA12 | |
| SCHEMBL15672061 | 0.75 | CYP1A2 (0.51) | CYP1A2CYP2C9CYP2C19ALDH1A1ACHE | |
| SCHEMBL24718229 | 0.75 | CYP1A2 (0.44) | CYP1A2CYP2C9CYP2C19ALDH1A1CA12 |
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-2004089362-A1 | 2-CYANOPYRROLES AND THEIR ANALOGUES AS DDP-IV INHIBITORS | NOVO NORDISK A/S (DK) | 2004-10-21 | — | — | WO | disclosed |