Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | DRD4 | P21917 | 1/20 | 0.30 |
| ▸ | DRD3 | P35462 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1807788 | 0.77 | S1PR1 (0.45) | GPBAR1CYP3A4 | |
| SCHEMBL1808235 | 0.77 | GPBAR1 (0.32) | GPBAR1 | |
| SCHEMBL1813449 | 0.70 | S1PR1 (0.54) | CYP3A4 | |
| SCHEMBL315186 | 0.62 | HTR3A (0.58) | MEN1CYP1A2TSHRKMT2A | |
| SCHEMBL134194 | 0.60 | — | — | |
| SCHEMBL482279 | 0.58 | HTR3A (0.48) | MEN1CYP1A2TSHRKMT2A | |
| SCHEMBL18533598 | 0.57 | HTR3A (0.52) | MEN1CYP1A2TSHRKMT2A | |
| Methyl Alcohol SCHEMBL15391253 | 0.57 | DRD2 (0.55) | MEN1CYP1A2TSHRKMT2A | |
| SCHEMBL28101829 | 0.57 | SLC18A3 (0.40) | MEN1KMT2A | |
| SCHEMBL22929 | 0.56 | — | — |
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-2011059784-A1 | TRICYCLIC HETEROCYCLIC COMPOUNDS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-05-19 | — | — | WO | disclosed |