Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 4/20 | 0.58 |
| ▸ | CNR2 | P34972 | 6/20 | 0.52 |
| ▸ | NPC1 | O15118 | 5/20 | 0.46 |
| ▸ | RAB9A | P51151 | 5/20 | 0.46 |
| ▸ | MAOB | P27338 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | BCHE | P06276 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | BACE1 | P56817 | 1/20 | 0.44 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL16420671 | 0.90 | ATR (0.71) | ATRCNR2PIM2ALDH1A1 | |
| SCHEMBL16420694 | 0.89 | ATR (0.71) | ATRBCHEACHEBACE1PIM2 | |
| SCHEMBL16420591 | 0.89 | ATR (0.71) | ATRBCHEACHEBACE1PIM2 | |
| Bicarbonate SCHEMBL28400434 | 0.85 | ATR (0.67) | ATRBCHEACHEBACE1PIM2 | |
| Isobutane SCHEMBL3049414 | 0.83 | ATR (0.64) | ATRBCHEACHEBACE1PIM2 | |
| SCHEMBL10255805 | 0.77 | RAB9A (0.52) | ATRNPC1RAB9ATSHRPIM2 | |
| SCHEMBL16420547 | 0.77 | NPC1 (0.61) | ATRNPC1RAB9ATSHRPIM2 | |
| SCHEMBL10256348 | 0.76 | RAB9A (0.50) | ATRNPC1RAB9ATSHRPIM2 | |
| SCHEMBL16420497 | 0.74 | ATR (0.58) | ATRMAOBTSHRALDH1A1HPGD | |
| SCHEMBL16420622 | 0.74 | ATR (0.72) | ATRBCHEACHEBACE1PIM2 |
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 |