Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 5/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | PGR | P06401 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 3/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | DTYMK | P23919 | 1/20 | 0.33 |
| ▸ | CASP6 | P55212 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | GLA | P06280 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9671806 | 0.80 | TSHR (0.44) | ARCYP3A4PGRTSHRDTYMK | |
| SCHEMBL17374985 | 0.74 | SMN1; SMN2 (0.47) | ARCYP3A4TSHRCASP6HTT | |
| SCHEMBL3758271 | 0.74 | TSHR (0.44) | ARCYP3A4PGRTSHRDTYMK | |
| SCHEMBL3016189 | 0.73 | TDP1 (0.35) | TSHRHTTALDH1A1MAPK1LMNA | |
| SCHEMBL31285889 | 0.73 | AR (0.42) | ARCYP3A4PGRTSHRNPSR1 | |
| SCHEMBL28683878 | 0.71 | ALDH1A1 (0.39) | ARCYP3A4TSHRALDH1A1SMN1; SMN2 | |
| SCHEMBL4996473 | 0.69 | SMN1; SMN2 (0.33) | TSHRNPSR1HTTALDH1A1SMN1; SMN2 | |
| SCHEMBL3575880 | 0.69 | — | — | |
| SCHEMBL23581862 | 0.69 | AKR1B1 (0.45) | ARCYP3A4PGRTSHRDTYMK | |
| SCHEMBL30196014 | 0.69 | AKR1B1 (0.45) | ARCYP3A4PGRTSHRDTYMK |
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-1346982-B1 | VLA-4 INHIBITORS | DAIICHI SEIYAKU CO (JP) | 2011-09-14 | — | — | EP | disclosed |