Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 2/20 | 0.45 |
| ▸ | TPX2 | Q9ULW0 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | PPARA | Q07869 | 1/20 | 0.39 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.38 |
| ▸ | NR4A2 | P43354 | 3/20 | 0.38 |
| ▸ | SNCA | P37840 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.36 |
| ▸ | BAD | Q92934 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL475040 | 0.85 | NPC1 (0.45) | KDM4EGPR84SNCANPC1RAB9A | |
| SCHEMBL20610616 | 0.77 | AURKA (0.51) | AURKATPX2KDM4EALDH1A1HPGD | |
| SCHEMBL3541516 | 0.75 | AURKA (0.55) | AURKATPX2KDM4EALDH1A1HPGD | |
| SCHEMBL28029673 | 0.74 | PPARA (0.49) | PPARANR4A2BCL2L1BAD | |
| SCHEMBL7158769 | 0.73 | TSHR (0.51) | PPARANR4A2TSHRBCL2L1BAD | |
| SCHEMBL7163885 | 0.73 | AURKA (0.56) | AURKATPX2KDM4EALDH1A1HPGD | |
| SCHEMBL30829598 | 0.71 | AURKA (0.55) | AURKATPX2KDM4EALDH1A1HPGD | |
| SCHEMBL30446838 | 0.70 | AURKA (0.56) | AURKATPX2KDM4EALDH1A1HPGD | |
| SCHEMBL2806054 | 0.70 | AURKA (0.56) | AURKATPX2KDM4EALDH1A1HPGD | |
| SCHEMBL28228782 | 0.69 | MAPT (0.40) | KDM4ENR4A2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2411001-A1 | P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN | Merck Sharp & Dohme Corp. (US) | 2012-02-01 | — | — | EP | disclosed |
| WO-2010111060-A1 | P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN | MERCK SHARP & DOHME CORP. (US) | 2010-09-30 | — | — | WO | disclosed |