Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BIRC5 | O15392 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | PER2 | O15055 | 1/20 | 0.40 |
| ▸ | CRY1 | Q16526 | 1/20 | 0.40 |
| ▸ | CRY2 | Q49AN0 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | LPAR5 | Q9H1C0 | 1/20 | 0.39 |
| ▸ | CFTR | P13569 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | BRD4 | O60885 | 1/20 | 0.38 |
| ▸ | BRPF1 | P55201 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.38 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL30462932 | 0.81 | ALDH1A1 (0.46) | BIRC5HPGDALDH1A1GAA | |
| SCHEMBL16463633 | 0.79 | HTR6 (0.47) | BRD4KDM4E | |
| SCHEMBL29576413 | 0.77 | ALDH1A1 (0.59) | HPGDPTPN1KDM4EALDH1A1MAPT | |
| SCHEMBL1809581 | 0.77 | ALDH1A1 (0.59) | HPGDPTPN1KDM4EALDH1A1MAPT | |
| Iodide SCHEMBL27839552 | 0.75 | ALDH1A1 (0.57) | HPGDPTPN1KDM4EALDH1A1MAPT | |
| Hydrochloric Acid SCHEMBL29744398 | 0.75 | ALDH1A1 (0.57) | HPGDPTPN1KDM4EALDH1A1MAPT | |
| SCHEMBL26684188 | 0.74 | CRBN (0.53) | CYP2A6LPAR5CFTRMAPTPRKCI | |
| SCHEMBL7662776 | 0.73 | COMT (0.49) | BIRC5HPGDKDM4E | |
| SCHEMBL16464432 | 0.73 | MAPT (0.41) | HPGDKDM4EALDH1A1MAPTNQO2 | |
| SCHEMBL16464557 | 0.73 | KDM4E (0.40) | BIRC5HPGDKDM4EALDH1A1MAPT |
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-8629162-B2 | Modulators of ATP-binding cassette transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-01-14 | — | — | US | disclosed |