Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.53 |
| ▸ | RAB9A | P51151 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | DRD2 | P14416 | 4/20 | 0.41 |
| ▸ | DRD3 | P35462 | 4/20 | 0.41 |
| ▸ | DRD4 | P21917 | 4/20 | 0.41 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.41 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.41 |
| ▸ | USP7 | Q93009 | 1/20 | 0.41 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.41 |
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL12812429 | 0.89 | NPC1 (0.53) | NPC1RAB9AALDH1A1KDM4EPOLB | |
| SCHEMBL12812478 | 0.89 | NPC1 (0.68) | NPC1RAB9AALDH1A1KDM4EPOLB | |
| SCHEMBL12812481 | 0.89 | NPC1 (0.49) | NPC1RAB9AALDH1A1KDM4EPOLB | |
| SCHEMBL1442232 | 0.85 | NPC1 (0.50) | NPC1RAB9AALDH1A1KDM4EPOLB | |
| SCHEMBL12812431 | 0.85 | NPC1 (0.49) | NPC1RAB9AALDH1A1KDM4EHCAR2 | |
| SCHEMBL12812477 | 0.85 | NPC1 (0.63) | NPC1RAB9AALDH1A1KDM4EPOLB | |
| SCHEMBL1443527 | 0.85 | NPC1 (0.54) | NPC1RAB9AALDH1A1KDM4EPOLB | |
| SCHEMBL12812513 | 0.83 | NPC1 (0.48) | NPC1RAB9AALDH1A1KDM4EPOLB | |
| SCHEMBL1444223 | 0.81 | NPC1 (0.54) | NPC1RAB9AALDH1A1KDM4EPOLB | |
| SCHEMBL12812480 | 0.81 | NPC1 (0.53) | NPC1RAB9AALDH1A1KDM4EPOLB |
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-2011026579-A1 | SUBSTITUTED AMINOQUINOXALINES AS TYROSINE THREONINE KINASE INHIBITORS | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2011-03-10 | — | — | WO | disclosed |