Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NTRK1 | P04629 | 2/20 | 0.45 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.44 |
| ▸ | ABL1 | P00519 | 2/20 | 0.43 |
| ▸ | PIK3C3 | Q8NEB9 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | GRM5 | P41594 | 4/20 | 0.41 |
| ▸ | NTRK2 | Q16620 | 1/20 | 0.41 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | HTR1F | P30939 | 1/20 | 0.40 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL13321615 | 0.90 | ABCB1 (0.44) | NTRK1ABCB1ABL1PIK3C3KDM4E | |
| SCHEMBL7918495 | 0.89 | ABCB1 (0.43) | NTRK1ABCB1ABL1PIK3C3KDM4E | |
| SCHEMBL7933347 | 0.84 | ABCB1 (0.51) | ABCB1GAAGRM5 | |
| SCHEMBL2849853 | 0.84 | GPR55 (0.44) | ABCB1GRM5MAPK1HTR1F | |
| SCHEMBL13640667 | 0.71 | KDM4E (0.52) | ABCB1KDM4ENPC1RAB9AALDH1A1 | |
| SCHEMBL7918493 | 0.70 | KDM4E (0.46) | ABCB1KDM4ENPC1RAB9AALDH1A1 | |
| SCHEMBL5232592 | 0.70 | HCAR3 (0.57) | ABCB1KDM4ENPC1RAB9AALDH1A1 | |
| SCHEMBL7924155 | 0.70 | KDM4E (0.45) | ABCB1KDM4ENPC1RAB9AALDH1A1 | |
| SCHEMBL13321619 | 0.70 | KDM4E (0.45) | ABCB1KDM4ENPC1RAB9AALDH1A1 | |
| SCHEMBL5835414 | 0.69 | CDK2 (0.57) | KDM4ENPC1RAB9AALDH1A1TP53 |
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-2010039237-A1 | COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES | SYNTA PHARMACEUTICALS CORP. (US) | 2010-04-08 | — | — | WO | disclosed |