Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | CDC25A | P30304 | 1/20 | 0.33 |
| ▸ | CDC25B | P30305 | 1/20 | 0.33 |
| ▸ | CDC25C | P30307 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.32 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.32 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.30 |
| ▸ | TAS1R1 | Q7RTX1 | 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 | |
|---|---|---|---|---|
| SCHEMBL22109656 | 0.82 | ALDH1A1 (0.41) | ALDH1A1CYP3A4CYP2C9RECQLCDC25A | |
| SCHEMBL19404067 | 0.81 | RECQL (0.43) | ALDH1A1CYP3A4CYP2C9RECQLKDM4E | |
| SCHEMBL17023988 | 0.77 | CYP3A4 (0.42) | ALDH1A1CYP3A4CYP2C9RECQLKDM4E | |
| SCHEMBL3152114 | 0.74 | ALDH1A1 (0.39) | ALDH1A1CYP3A4CYP2C9RECQLCDC25A | |
| SCHEMBL19825352 | 0.71 | RECQL (0.44) | ALDH1A1CYP3A4CYP2C9RECQLTDP1 | |
| SCHEMBL15371814 | 0.71 | RECQL (0.44) | ALDH1A1CYP3A4CYP2C9RECQLTDP1 | |
| SCHEMBL12238362 | 0.71 | ALDH1A1 (0.46) | ALDH1A1CYP3A4CYP2C9RECQLCDC25A | |
| SCHEMBL7717102 | 0.71 | ALDH1A1 (0.46) | ALDH1A1CYP3A4CYP2C9RECQLCDC25A | |
| SCHEMBL3372378 | 0.70 | RECQL (0.46) | ALDH1A1CYP3A4CYP2C9RECQLKDM4E | |
| SCHEMBL19825375 | 0.70 | RECQL (0.43) | ALDH1A1CYP3A4CYP2C9RECQLTDP1 |
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-3433254-B1 | NAPHTHYRIDINES AS INTEGRIN ANTAGONISTS | GLAXOSMITHKLINE IP DEV LTD (GB) | 2020-06-17 | — | — | EP | disclosed |