Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 11/20 | 0.46 |
| ▸ | CYP1A1 | P04798 | 11/20 | 0.46 |
| ▸ | CYP1B1 | Q16678 | 11/20 | 0.46 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.43 |
| ▸ | ERN1 | O75460 | 1/20 | 0.42 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.42 |
| ▸ | TYR | P14679 | 1/20 | 0.42 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 4/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL30567454 | 0.88 | CYP1A2 (0.52) | CYP1A2CYP1A1CYP1B1NFE2L2ALDH1A1 | |
| SCHEMBL9065566 | 0.88 | CYP1A2 (0.52) | CYP1A2CYP1A1CYP1B1NFE2L2ALDH1A1 | |
| SCHEMBL10861186 | 0.81 | ALDH1A1 (0.61) | CYP1A2CYP1A1CYP1B1NFE2L2ALDH1A1 | |
| SCHEMBL3785302 | 0.80 | CYP1A2 (0.70) | CYP1A2CYP1A1CYP1B1NFE2L2ALDH1A1 | |
| SCHEMBL629648 | 0.77 | ALDH1A1 (0.61) | CYP1A2CYP1A1CYP1B1NFE2L2ALDH1A1 | |
| SCHEMBL1130309 | 0.76 | CYP1A2 (0.48) | CYP1A2CYP1A1CYP1B1NFE2L2ALDH1A1 | |
| SCHEMBL4025438 | 0.76 | ERN1 (0.44) | CYP1A2CYP1A1CYP1B1NFE2L2ALDH1A1 | |
| SCHEMBL1792533 | 0.76 | CYP1A1 (0.61) | CYP1A2CYP1A1CYP1B1NFE2L2ALDH1A1 | |
| SCHEMBL11986284 | 0.76 | ERN1 (0.44) | CYP1A2CYP1A1CYP1B1NFE2L2ALDH1A1 | |
| SCHEMBL30411244 | 0.76 | CYP1A2 (0.70) | CYP1A2CYP1A1CYP1B1NFE2L2ALDH1A1 |
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-2328865-B1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2017-05-31 | — | — | EP | disclosed |