Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 5/20 | 0.45 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | GUSB | P08236 | 9/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 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 | |
|---|---|---|---|---|
| SCHEMBL17826143 | 0.89 | ATR (0.43) | ATRLMNATP53 | |
| SCHEMBL17826206 | 0.89 | ATR (0.49) | ATRNPC1RAB9ASMN1; SMN2KDM4E | |
| SCHEMBL17826177 | 0.88 | ATR (0.53) | ATR | |
| SCHEMBL16420609 | 0.88 | ATR (0.58) | ATRGUSB | |
| SCHEMBL17826183 | 0.87 | ATR (0.62) | ATR | |
| SCHEMBL17826208 | 0.87 | ATR (0.51) | ATR | |
| SCHEMBL17826129 | 0.86 | RAB9A (0.46) | ATRNPC1RAB9ASMN1; SMN2KDM4E | |
| SCHEMBL17826182 | 0.86 | NPC1 (0.44) | ATRNPC1RAB9AKDM4EALDH1A1 | |
| SCHEMBL17826180 | 0.85 | ATR (0.41) | ATRNPC1RAB9ARXFP1 | |
| SCHEMBL17826111 | 0.85 | NPC1 (0.48) | ATRNPC1RAB9AKDM4ELMNA |
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 |