Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRC | P12931 | 1/20 | 0.38 |
| ▸ | BRAF | P15056 | 1/20 | 0.38 |
| ▸ | KDR | P35968 | 1/20 | 0.38 |
| ▸ | RPS6KA3 | P51812 | 2/20 | 0.38 |
| ▸ | GPBAR1 | Q8TDU6 | 8/20 | 0.37 |
| ▸ | KLRK1 | P26718 | 2/20 | 0.35 |
| ▸ | MICA | Q29983 | 2/20 | 0.35 |
| ▸ | RAET1L | Q5VY80 | 2/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.35 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.35 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.34 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.34 |
| ▸ | GSK3A | P49840 | 1/20 | 0.34 |
| ▸ | GSK3B | P49841 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | METAP2 | P50579 | 1/20 | 0.34 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL14906370 | 0.89 | GPBAR1 (0.40) | GPBAR1KLRK1MICARAET1LHSP90AA1 | |
| SCHEMBL14906516 | 0.89 | GPBAR1 (0.47) | GPBAR1METAP2 | |
| SCHEMBL14906389 | 0.87 | GPBAR1 (0.47) | GPBAR1CYP1A2METAP2 | |
| SCHEMBL14906364 | 0.86 | GPBAR1 (0.37) | GPBAR1S1PR1S1PR3GSK3AGSK3B | |
| SCHEMBL14906387 | 0.85 | GPBAR1 (0.40) | RPS6KA3GPBAR1 | |
| SCHEMBL14906383 | 0.85 | GPBAR1 (0.49) | GPBAR1CYP1A2METAP2 | |
| SCHEMBL14906367 | 0.85 | KLRK1 (0.39) | GPBAR1KLRK1MICARAET1LS1PR1 | |
| SCHEMBL14906417 | 0.85 | GPBAR1 (0.36) | GPBAR1KLRK1MICARAET1LHSP90AA1 | |
| SCHEMBL14896119 | 0.83 | GPBAR1 (0.52) | GPBAR1 | |
| SCHEMBL14906369 | 0.83 | IDO1 (0.42) | KDRGPBAR1 |
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-2013062887-A1 | SUBSTITUTED PYRIDINE DERIVATIVES USEFUL AS GPR131 AGONISTS | MERCK SHARP & DOHME CORP. (US) | 2013-05-02 | — | — | WO | disclosed |