Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | ATR | Q13535 | 15/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | GUSB | P08236 | 1/20 | 0.39 |
| ▸ | CHUK | O15111 | 1/20 | 0.34 |
| ▸ | CASP3 | P42574 | 1/20 | 0.34 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.34 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.34 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL17826129 | 0.89 | RAB9A (0.46) | NPC1RAB9AATRKDM4EALDH1A1 | |
| SCHEMBL17826111 | 0.88 | NPC1 (0.48) | NPC1RAB9AATRKDM4EALDH1A1 | |
| SCHEMBL17826139 | 0.88 | ATR (0.45) | NPC1RAB9AATRKDM4EALDH1A1 | |
| SCHEMBL17826180 | 0.88 | ATR (0.41) | NPC1RAB9AATR | |
| SCHEMBL16420596 | 0.87 | ATR (0.55) | ATR | |
| SCHEMBL17826108 | 0.86 | ATR (0.46) | NPC1RAB9AATRPOLBHPGD | |
| SCHEMBL17826135 | 0.86 | ATR (0.40) | ATR | |
| SCHEMBL17826163 | 0.86 | ATR (0.57) | ATR | |
| SCHEMBL17826191 | 0.86 | ATR (0.45) | NPC1RAB9AATRKDM4EALDH1A1 | |
| SCHEMBL17826187 | 0.85 | ATR (0.58) | ATRKDM4EALDH1A1HSD17B10CYP1A2 |
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 |