Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 1/20 | 0.52 |
| ▸ | CHKA | P35790 | 5/20 | 0.47 |
| ▸ | HRH4 | Q9H3N8 | 3/20 | 0.43 |
| ▸ | HTR3A | P46098 | 1/20 | 0.43 |
| ▸ | CASP1 | P29466 | 2/20 | 0.43 |
| ▸ | CASP5 | P51878 | 2/20 | 0.43 |
| ▸ | CASP4 | P49662 | 1/20 | 0.43 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.42 |
| ▸ | MELK | Q14680 | 1/20 | 0.42 |
| ▸ | EHMT2 | Q96KQ7 | 1/20 | 0.42 |
| ▸ | MET | P08581 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | HCAR2 | Q8TDS4 | 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 | |
|---|---|---|---|---|
| SCHEMBL12812470 | 0.92 | CASP1 (0.50) | NPC1RAB9AHRH4HTR3ACASP1 | |
| SCHEMBL12812477 | 0.90 | NPC1 (0.63) | NPC1RAB9ACASP1CASP5CASP4 | |
| SCHEMBL12812480 | 0.89 | NPC1 (0.53) | NPC1RAB9AHRH4HTR3ACASP1 | |
| SCHEMBL12812478 | 0.87 | NPC1 (0.68) | NPC1RAB9ACASP1CASP5KDM4E | |
| SCHEMBL12812474 | 0.84 | HRH4 (0.54) | HRH4HTR3AMETKDM4EALDH1A1 | |
| SCHEMBL10179187 | 0.84 | CASP1 (0.47) | NPC1RAB9AHRH4HTR3ACASP1 | |
| SCHEMBL1442598 | 0.83 | NPC1 (0.51) | NPC1RAB9APOLBHCAR2 | |
| SCHEMBL1443431 | 0.82 | NPC1 (0.58) | NPC1RAB9AHRH4HTR3ACASP1 | |
| SCHEMBL10180445 | 0.80 | NPC1 (0.56) | NPC1RAB9AHRH4CASP1CASP5 | |
| SCHEMBL1442666 | 0.80 | HRH4 (0.59) | HRH4HTR3AMETALDH1A1HCAR2 |
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-2473498-A1 | SUBSTITUTED AMINOQUINOXALINES AS TYROSINE THREONINE KINASE INHIBITORS | Bayer Pharma Aktiengesellschaft (DE) | 2012-07-11 | — | — | EP | claimed |