Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.58 |
| ▸ | GAA | P10253 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 3/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | RECQL | P46063 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2980955 | 0.80 | ALDH1A1 (0.47) | CYP3A4CYP2C19GAATSHRALDH1A1 | |
| SCHEMBL17901790 | 0.79 | ALDH1A1 (0.51) | CYP3A4CYP2C19GAATSHRALDH1A1 | |
| SCHEMBL13359381 | 0.79 | ALDH1A1 (0.51) | CYP3A4CYP2C19GAATSHRALDH1A1 | |
| SCHEMBL10627932 | 0.79 | CA2 (0.38) | CYP3A4CYP2C19GAATSHRSMN1; SMN2 | |
| SCHEMBL4394013 | 0.78 | CYP3A4 (0.50) | CYP3A4CYP2C19GAATSHRALDH1A1 | |
| SCHEMBL4394010 | 0.78 | CYP3A4 (0.50) | CYP3A4CYP2C19GAATSHRALDH1A1 | |
| SCHEMBL13324904 | 0.78 | ALDH1A1 (0.50) | CYP3A4CYP2C19GAATSHRALDH1A1 | |
| SCHEMBL15944487 | 0.77 | CYP3A4 (0.69) | CYP3A4CYP2C19GAATSHRALDH1A1 | |
| SCHEMBL10310589 | 0.77 | LIPE (0.40) | CYP3A4CYP2C19GAATSHRALDH1A1 | |
| SCHEMBL18330368 | 0.77 | ALDH1A1 (0.56) | GAAALDH1A1HPGDPOLBMAPT |
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-2802576-B1 | HETEROCYCLIC-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2018-06-27 | — | — | EP | disclosed |