Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
| ▸ | DPP4 | P27487 | 1/20 | 0.34 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.32 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.32 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | NOTUM | Q6P988 | 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 | |
|---|---|---|---|---|
| SCHEMBL12993025 | 0.75 | HSD17B10 (0.34) | TAAR1CYP3A4 | |
| SCHEMBL29809911 | 0.71 | CYP1A2 (0.34) | CYP2A6 | |
| SCHEMBL18490803 | 0.71 | ALDH1A1 (0.34) | — | |
| SCHEMBL21257450 | 0.70 | MAOA (0.38) | CYP3A4 | |
| SCHEMBL18901229 | 0.70 | LTA4H (0.36) | TAAR1DPP4LOXL2 | |
| SCHEMBL10022752 | 0.70 | — | — | |
| SCHEMBL6251775 | 0.69 | TP53 (0.34) | TAAR1 | |
| SCHEMBL24891096 | 0.68 | — | — | |
| SCHEMBL21092321 | 0.67 | KIF11 (0.36) | — | |
| SCHEMBL24521353 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3016951-B1 | TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2017-05-31 | — | — | EP | disclosed |