Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.48 |
| ▸ | ATR | Q13535 | 13/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | PIM1 | P11309 | 1/20 | 0.39 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.39 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | GUSB | P08236 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL17826182 | 0.88 | NPC1 (0.44) | NPC1RAB9AATRKDM4EALDH1A1 | |
| SCHEMBL17826129 | 0.88 | RAB9A (0.46) | NPC1RAB9AATRKDM4EALDH1A1 | |
| SCHEMBL16420509 | 0.87 | ATR (0.58) | NPC1RAB9ARXFP1ATR | |
| SCHEMBL17826180 | 0.87 | ATR (0.41) | NPC1RAB9ARXFP1ATRPIM1 | |
| SCHEMBL17826139 | 0.87 | ATR (0.45) | NPC1RAB9AATRKDM4EALDH1A1 | |
| SCHEMBL17826187 | 0.87 | ATR (0.58) | ATRKDM4EALDH1A1HSD17B10 | |
| SCHEMBL17826108 | 0.85 | ATR (0.46) | NPC1RAB9AATRHPGD | |
| SCHEMBL17826163 | 0.85 | ATR (0.57) | ATR | |
| SCHEMBL17826191 | 0.85 | ATR (0.45) | NPC1RAB9ARXFP1ATRKDM4E | |
| SCHEMBL17826135 | 0.85 | ATR (0.40) | ATR |
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 |
|---|---|---|---|---|---|---|---|
| US-9365557-B2 | Substituted pyrazin-2-amines as inhibitors of ATR kinase | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2016-06-14 | — | — | US | disclosed |