Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CCR3 | P51677 | 1/20 | 0.30 |
| ▸ | SSTR1 | P30872 | 1/20 | 0.30 |
| ▸ | SSTR4 | P31391 | 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL14122205 | 0.96 | CYP2C9 (0.30) | CYP2C9 | |
| SCHEMBL9905222 | 0.91 | CYP2C9 (0.37) | CYP2C9 | |
| SCHEMBL9905804 | 0.89 | — | — | |
| SCHEMBL16105097 | 0.88 | CYP2C9 (0.31) | CYP2C9 | |
| SCHEMBL9921619 | 0.87 | — | — | |
| SCHEMBL9905142 | 0.86 | GRIN1 (0.31) | — | |
| SCHEMBL16105113 | 0.85 | PARP1 (0.33) | CYP2C9 | |
| SCHEMBL16105096 | 0.85 | — | — | |
| Trifluoroacetic Acid SCHEMBL9905301 | 0.84 | CYP2C9 (0.31) | CYP2C9 | |
| SCHEMBL16105143 | 0.84 | NTRK1 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8846659-B2 | HIV integrase inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2014-09-30 | — | — | US | claimed |