Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | ATR | Q13535 | 7/20 | 0.38 |
| ▸ | MAOB | P27338 | 3/20 | 0.35 |
| ▸ | PRKDC | P78527 | 1/20 | 0.31 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.31 |
| ▸ | CSF1R | P07333 | 1/20 | 0.31 |
| ▸ | DPP4 | P27487 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | PPARG | P37231 | 1/20 | 0.31 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.31 |
| ▸ | NR2E3 | Q9Y5X4 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL20433339 | 0.80 | ATR (0.42) | ATRMAOBKDM4EPOLBPPARG | |
| SCHEMBL20433069 | 0.78 | ATR (0.47) | ATRKDM4ECYP3A4CYP2C9CYP2C19 | |
| SCHEMBL24681201 | 0.78 | ATR (0.47) | ATR | |
| SCHEMBL20433475 | 0.77 | ATR (0.53) | NPC1ATR | |
| SCHEMBL20433177 | 0.76 | ATR (0.55) | ATRMAOBPRKDCADORA1 | |
| SCHEMBL20433561 | 0.74 | ATR (0.38) | ATRPRKDC | |
| SCHEMBL20433492 | 0.74 | ATR (0.52) | ATRMAOBPRKDC | |
| SCHEMBL20433040 | 0.74 | ATR (0.53) | ATRPRKDCADORA1 | |
| SCHEMBL24681760 | 0.74 | ATR (0.38) | NPC1RAB9AATR | |
| SCHEMBL20433365 | 0.72 | ATR (0.54) | NPC1RAB9AHPGDNPSR1ATR |
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-4059932-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | Vertex Pharmaceuticals Incorporated (US) | 2022-09-21 | — | — | EP | disclosed |
| EP-3354650-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | Vertex Pharmaceuticals Incorporated (US) | 2018-08-01 | — | — | EP | disclosed |