Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 9/20 | 0.57 |
| ▸ | TP53 | P04637 | 3/20 | 0.51 |
| ▸ | PKM | P14618 | 3/20 | 0.51 |
| ▸ | RAB9A | P51151 | 3/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.51 |
| ▸ | NPC1 | O15118 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | ATM | Q13315 | 2/20 | 0.49 |
| ▸ | PRKDC | P78527 | 1/20 | 0.49 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | KLF5 | Q13887 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA9 | Q16790 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28780909 | 0.78 | ADORA2A (0.44) | ATRRAB9AMAPTKMT2AATM | |
| SCHEMBL617342 | 0.77 | ATR (0.66) | ATRTP53PKMRAB9ASMN1; SMN2 | |
| SCHEMBL13346561 | 0.76 | ATR (0.64) | ATRTP53PKMRAB9ASMN1; SMN2 | |
| SCHEMBL2486722 | 0.75 | ATR (0.71) | ATRATMPRKDCNR1H4 | |
| SCHEMBL2503969 | 0.72 | ATR (1.00) | ATRTP53PKMRAB9ASMN1; SMN2 | |
| SCHEMBL28398899 | 0.70 | ATR (0.70) | ATRTP53PKMRAB9ASMN1; SMN2 | |
| SCHEMBL12630050 | 0.69 | NR1H4 (0.58) | ATRTP53PKMRAB9ASMN1; SMN2 | |
| SCHEMBL2496548 | 0.68 | ATR (0.57) | ATRSMN1; SMN2MAPTATMPRKDC | |
| SCHEMBL2487600 | 0.68 | ATR (0.79) | ATRATMPRKDCCA2CA9 | |
| SCHEMBL28399032 | 0.68 | ATR (0.62) | ATRATMPRKDC |
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 |
|---|---|---|---|---|---|---|---|
| CN-102300862-A | Compounds useful as inhibitors of ATR kinase | — | 2011-12-28 | — | — | CN | disclosed |