Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 14/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.36 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL2640952 | 0.85 | ATR (0.45) | ATRSMN1; SMN2KDM4ELMNATP53 | |
| SCHEMBL2640866 | 0.81 | ATR (0.44) | ATRSMN1; SMN2KDM4ELMNATP53 | |
| SCHEMBL16758511 | 0.76 | S1PR1 (0.56) | ATRSMN1; SMN2KDM4ELMNATP53 | |
| SCHEMBL2640747 | 0.74 | ATR (0.54) | ATRSMN1; SMN2KDM4ETP53ALDH1A1 | |
| SCHEMBL16758508 | 0.72 | NPC1 (0.53) | ATRSMN1; SMN2KDM4ETP53POLB | |
| SCHEMBL2640819 | 0.70 | ATR (0.36) | ATRSMN1; SMN2KDM4ELMNATP53 | |
| SCHEMBL12183897 | 0.70 | ATR (0.36) | ATRSMN1; SMN2KDM4ELMNATP53 | |
| SCHEMBL8154608 | 0.69 | MEN1 (0.42) | SMN1; SMN2LMNAPOLBALDH1A1MAPT | |
| SCHEMBL27836742 | 0.69 | ATR (0.51) | ATR | |
| SCHEMBL2640968 | 0.69 | ATR (0.36) | ATRSMN1; SMN2KDM4ELMNATP53 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2569284-A1 | 2 -AMINOPYRIDINE DERIVATIVES USEFUL AS INHIBITORS OF ATR KINASE | Vertex Pharmaceuticals Incorporated (US) | 2013-03-20 | — | — | EP | disclosed |
| WO-2011143422-A1 | 2 -AMINOPYRIDINE DERIVATIVES USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-11-17 | — | — | WO | disclosed |