Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP26A1 | O43174 | 8/20 | 0.66 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.61 |
| ▸ | ESR1 | P03372 | 4/20 | 0.52 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.52 |
| ▸ | CYP24A1 | Q07973 | 3/20 | 0.52 |
| ▸ | ACHE | P22303 | 1/20 | 0.51 |
| ▸ | CYP27A1 | Q02318 | 1/20 | 0.46 |
| ▸ | STS | P08842 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8158688 | 0.84 | CYP26A1 (0.86) | CYP26A1CYP19A1ESR1ESR2CYP24A1 | |
| SCHEMBL7749605 | 0.82 | CYP26A1 (0.70) | CYP26A1CYP19A1ESR1ESR2CYP24A1 | |
| SCHEMBL7750942 | 0.78 | CYP26A1 (0.74) | CYP26A1CYP19A1ESR1ESR2CYP24A1 | |
| SCHEMBL20809677 | 0.75 | CYP26A1 (0.82) | CYP26A1CYP19A1ESR1ESR2CYP24A1 | |
| SCHEMBL7749818 | 0.74 | CYP26A1 (0.71) | CYP26A1CYP19A1ESR1ESR2CYP24A1 | |
| SCHEMBL8465475 | 0.74 | CYP19A1 (0.78) | CYP26A1CYP19A1ESR1ESR2CYP24A1 | |
| SCHEMBL7724260 | 0.74 | ESR1 (0.50) | ESR1ESR2 | |
| SCHEMBL14061950 | 0.73 | CYP26A1 (0.67) | CYP26A1CYP19A1CYP24A1 | |
| SCHEMBL4622497 | 0.72 | CYP26A1 (0.70) | CYP26A1CYP19A1CYP24A1 | |
| SCHEMBL8890954 | 0.72 | CYP19A1 (0.53) | CYP26A1CYP19A1ESR1ESR2CYP24A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2001042181-A1 | BENZYL TETRALINS, FORMULATIONS AND USES THEREOF | UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) | 2001-06-14 | — | — | WO | claimed |
| WO-2001042181-A1 | BENZYL TETRALINS, FORMULATIONS AND USES THEREOF | UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) | 2001-06-14 | — | — | WO | disclosed |