Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TGFBR1 | P36897 | 14/20 | 0.43 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.38 |
| ▸ | KMO | O15229 | 2/20 | 0.37 |
| ▸ | ATR | Q13535 | 1/20 | 0.36 |
| ▸ | FYN | P06241 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL14897192 | 0.81 | TGFBR1 (0.46) | TGFBR1CHRM4KMOATR | |
| SCHEMBL18654572 | 0.80 | TGFBR1 (0.43) | TGFBR1CHRM4KMOATR | |
| SCHEMBL14881491 | 0.80 | TGFBR1 (0.53) | TGFBR1CHRM4KMOATRFYN | |
| SCHEMBL14881460 | 0.79 | TGFBR1 (0.48) | TGFBR1CHRM4KMOATR | |
| SCHEMBL14897194 | 0.78 | ATR (0.44) | TGFBR1KMOATRFYNCYP1A2 | |
| SCHEMBL14896955 | 0.78 | TGFBR1 (0.44) | TGFBR1KMOATR | |
| SCHEMBL14896756 | 0.78 | ATR (0.46) | TGFBR1KMOATRFYN | |
| SCHEMBL14897613 | 0.78 | TGFBR1 (0.47) | TGFBR1CHRM4ATRFYN | |
| SCHEMBL14897111 | 0.78 | TGFBR1 (0.49) | TGFBR1CHRM4KMOATRFYN | |
| SCHEMBL14896887 | 0.78 | NTRK1 (0.46) | TGFBR1 |
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-2768509-B1 | SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS | GLAXOSMITHKLINE LLC (US) | 2017-03-22 | — | — | EP | disclosed |