Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ODC1 | P11926 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | CA9 | Q16790 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | TLR3 | O15455 | 1/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7766906 | 0.87 | ALDH1A1 (0.42) | ALDH1A1HPGDCA9KDM4ENPC1 | |
| SCHEMBL6649598 | 0.74 | ALDH1A1 (0.40) | ALDH1A1HPGDCA9KDM4ENPC1 | |
| SCHEMBL27810630 | 0.74 | PTPN1 (0.52) | ODC1ALDH1A1HPGDCA9KDM4E | |
| SCHEMBL27739440 | 0.74 | HTR2C (0.57) | ODC1ALDH1A1HPGDCA9KDM4E | |
| SCHEMBL20718982 | 0.74 | HTR2C (0.54) | ODC1ALDH1A1HPGDCA9KDM4E | |
| SCHEMBL3193312 | 0.74 | ODC1 (0.47) | ODC1ALDH1A1HPGDCA9KDM4E | |
| SCHEMBL31254058 | 0.74 | PTPN1 (0.52) | ODC1ALDH1A1HPGDCA9KDM4E | |
| SCHEMBL27212173 | 0.73 | HIF1A (0.44) | ODC1ALDH1A1HPGDCA9KDM4E | |
| SCHEMBL9583946 | 0.72 | DAO (0.33) | CA9TP53 | |
| SCHEMBL14178684 | 0.72 | HIF1A (0.43) | ALDH1A1HPGDCA9KDM4ENPC1 |
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-1991009031-A1 | TRIFLUOROMETHYL SUBSTITUTED COMPOUNDS AND A PHARMACEUTICAL COMPOSITION | BEECHAM GROUP PLC (GB) | 1991-06-27 | — | — | WO | disclosed |