Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
| ▸ | SYK | P43405 | 1/20 | 0.40 |
| ▸ | FBP1 | P09467 | 1/20 | 0.40 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.39 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.39 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.38 |
| ▸ | SMPD3 | Q9NY59 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 8/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 7/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.37 |
| ▸ | ECE1 | P42892 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.35 |
| ▸ | ABL1 | P00519 | 1/20 | 0.35 |
| ▸ | BCR | P11274 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8214626 | 0.84 | PDPK1 (0.58) | ADRB2PDPK1LOXL2ADORA1ADORA2A | |
| SCHEMBL8205594 | 0.82 | GABRA1 (0.47) | FBP1SMPD3ECE1ABL1BCR | |
| SCHEMBL466426 | 0.76 | PDPK1 (0.63) | ESR1ESR2SYKFBP1ADRB2 | |
| SCHEMBL3270763 | 0.75 | BRAF (0.50) | CYP19A1 | |
| Ammonia Solution, Strong SCHEMBL29239355 | 0.75 | PDPK1 (0.61) | ESR1ESR2SYKFBP1ADRB2 | |
| SCHEMBL8220878 | 0.72 | ALOX15 (0.50) | ESR1ESR2 | |
| SCHEMBL13510669 | 0.70 | PDPK1 (0.54) | ESR1ADRB2PDPK1LOXL2ADORA1 | |
| SCHEMBL10678369 | 0.69 | ESR1 (0.39) | ESR1ESR2ADORA1ADORA3 | |
| SCHEMBL10072211 | 0.69 | GABRA1 (0.43) | FBP1ADRB2LOXL2SMPD3ADORA1 | |
| SCHEMBL13509018 | 0.69 | PDPK1 (0.53) | ADRB2PDPK1ADORA1ADORA2AADORA3 |
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-2008021871-A2 | TRIAZOLYL ACYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS | ENANTA PHARMACEUTICALS, INC. (US) | 2008-02-21 | — | — | WO | disclosed |