Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.56 |
| ▸ | RAB9A | P51151 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | DRD4 | P21917 | 1/20 | 0.42 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.41 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.39 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.39 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.39 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.39 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.39 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.39 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 0.39 |
| ▸ | RET | P07949 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | CASP5 | P51878 | 1/20 | 0.39 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.39 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL12812478 | 0.91 | NPC1 (0.68) | NPC1RAB9AALDH1A1KDM4EPOLB | |
| SCHEMBL12812471 | 0.88 | GRIN2D (0.45) | HCAR2GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL12812477 | 0.87 | NPC1 (0.63) | NPC1RAB9AALDH1A1KDM4EPOLB | |
| SCHEMBL1443527 | 0.81 | NPC1 (0.54) | NPC1RAB9AALDH1A1KDM4EPOLB | |
| SCHEMBL12812429 | 0.81 | NPC1 (0.53) | NPC1RAB9AALDH1A1KDM4EPOLB | |
| SCHEMBL12812480 | 0.81 | NPC1 (0.53) | NPC1RAB9AALDH1A1KDM4EPOLB | |
| SCHEMBL12812430 | 0.80 | NPC1 (0.53) | NPC1RAB9AALDH1A1KDM4EPOLB | |
| SCHEMBL10180907 | 0.80 | NPC1 (0.52) | NPC1RAB9AALDH1A1KDM4EPOLB | |
| SCHEMBL10179172 | 0.79 | NPC1 (0.63) | NPC1RAB9AALDH1A1KDM4EPOLB | |
| SCHEMBL1442598 | 0.79 | NPC1 (0.51) | NPC1RAB9APOLBDRD4HCAR2 |
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 |