Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB11 | O95342 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.33 |
| ▸ | PPARA | Q07869 | 1/20 | 0.33 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.33 |
| ▸ | CYP4A11 | Q02928 | 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 | |
|---|---|---|---|---|
| SCHEMBL8301609 | 0.82 | ABCB11 (0.34) | ABCB11CYP1A2CYP3A4TSHRHTR2A | |
| SCHEMBL6008109 | 0.80 | CYP4F2 (0.41) | ABCB11CYP1A2CYP3A4TSHRHTR2A | |
| SCHEMBL23293115 | 0.80 | HCAR2 (0.38) | ABCB11CYP1A2CYP3A4TSHRHTR2A | |
| SCHEMBL3910492 | 0.79 | POLB (0.43) | CYP1A2CYP3A4CYP4F2CYP4A11 | |
| SCHEMBL4675028 | 0.79 | GAA (0.38) | ABCB11CYP1A2CYP3A4TSHRHTR2A | |
| SCHEMBL4675025 | 0.79 | ABCB11 (0.31) | ABCB11CYP1A2CYP3A4TSHRHTR2A | |
| SCHEMBL7064192 | 0.78 | TDP1 (0.34) | ABCB11CYP1A2CYP3A4TSHRHTR2A | |
| SCHEMBL7064188 | 0.78 | ABCB11 (0.30) | ABCB11CYP1A2CYP3A4TSHRHTR2A | |
| SCHEMBL9312845 | 0.77 | ALDH1A1 (0.33) | TSHR | |
| SCHEMBL11778231 | 0.77 | POLB (0.31) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5587374-A | BACTERICIDES TREATING INFECTIONS | GLAXO SPA (IT) | 1996-12-24 | — | — | US | disclosed |
| EP-0495953-B1 | 10-(1-Hydroxyethyl)-11-oxo-1-azatricyclo[7.2.0.0(3,8)]undec-2-ene-2-carboxylic acid esters and a process for preparing thereof | GLAXO SPA (IT) | 1994-06-08 | — | — | EP | disclosed |
| EP-0495953-A1 | 10-(1-Hydoxyethyl)-11-oxo-1-azatricyclo(7.2.0.0(3,8)undec-2-ene-2-carboxylic acid esters and a process for preparing thereof. | GLAXO SPA (IT) | 1992-07-29 | — | — | EP | disclosed |
| WO-1992003437-A1 | 10(1-HYDROXYETHYL)-11-OXO-1-AZATRICYCLO[7.2.0.0.3.8]UNDEC-2-ENE-2-CARBOXYLIC ACID ESTERS AND A PROCESS FOR PREPARING THEREOF | GLAXO S.P.A. (IT) | 1992-03-05 | — | — | WO | disclosed |