Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 7/20 | 0.46 |
| ▸ | NPC1 | O15118 | 6/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.46 |
| ▸ | CASP3 | P42574 | 1/20 | 0.46 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.46 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.46 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 4/20 | 0.44 |
| ▸ | HPGD | P15428 | 4/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | ATR | Q13535 | 12/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | AHR | P35869 | 1/20 | 0.36 |
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 | 0.89 | NPC1 (0.44) | RAB9ANPC1CASP3SENP8SENP7 | |
| SCHEMBL17826111 | 0.88 | NPC1 (0.48) | RAB9ANPC1HPGDALDH1A1HSD17B10 | |
| SCHEMBL17826139 | 0.88 | ATR (0.45) | RAB9ANPC1SMN1; SMN2HPGDALDH1A1 | |
| SCHEMBL17826180 | 0.88 | ATR (0.41) | RAB9ANPC1ATR | |
| SCHEMBL16420615 | 0.87 | ATR (0.55) | RAB9ANPC1SMN1; SMN2CASP3SENP8 | |
| SCHEMBL17826108 | 0.86 | ATR (0.46) | RAB9ANPC1SMN1; SMN2HPGDATR | |
| SCHEMBL17826135 | 0.86 | ATR (0.40) | ATR | |
| SCHEMBL17826163 | 0.86 | ATR (0.57) | ATR | |
| SCHEMBL17826191 | 0.86 | ATR (0.45) | RAB9ANPC1SMN1; SMN2HPGDALDH1A1 | |
| SCHEMBL17826187 | 0.85 | ATR (0.58) | ALDH1A1HSD17B10ATRKDM4E |
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 |