Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | PARP1 | P09874 | 8/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | AHR | P35869 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | IKBKB | O14920 | 1/20 | 0.34 |
| ▸ | METAP2 | P50579 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL13254942 | 0.76 | PARP1 (0.45) | NPC1RAB9APARP1MAPTKDM4E | |
| SCHEMBL39964 | 0.74 | KDM4E (0.52) | PARP1MAPTKDM4EALDH1A1HPGD | |
| SCHEMBL10518289 | 0.73 | TRPA1 (0.41) | SMN1; SMN2ALDH1A1TSHR | |
| Hydrochloric Acid SCHEMBL4562961 | 0.72 | PARP1 (0.50) | PARP1MAPTKDM4EALDH1A1HPGD | |
| SCHEMBL5132317 | 0.71 | ALOX15 (0.40) | KDM4EALDH1A1HPGDTSHRHSD17B10 | |
| SCHEMBL7348566 | 0.70 | CA2 (0.43) | NPC1RAB9APARP1MAPTAHR | |
| SCHEMBL160022 | 0.69 | ESR1 (0.49) | NPC1RAB9APARP1MAPTKDM4E | |
| SCHEMBL30471810 | 0.69 | BCAT2 (0.52) | PARP1MAPTKDM4EALDH1A1HPGD | |
| SCHEMBL30933674 | 0.69 | ESR1 (0.49) | NPC1RAB9APARP1MAPTKDM4E | |
| SCHEMBL4631244 | 0.68 | BCAT2 (0.56) | NPC1RAB9AMAPTSMN1; SMN2KDM4E |
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-1954132-A2 | AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME | Renovis, Inc. (US) | 2008-08-13 | — | — | EP | claimed |
| WO-2007100758-A2 | AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME | RENOVIS, INC. (US) | 2007-09-07 | — | — | WO | claimed |