Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CFTR | P13569 | 2/20 | 0.39 |
| ▸ | BRAF | P15056 | 2/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.36 |
| ▸ | KDR | P35968 | 1/20 | 0.36 |
| ▸ | DDR1 | Q08345 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.35 |
| ▸ | KCNJ5 | P48544 | 1/20 | 0.35 |
| ▸ | KCNJ3 | P48549 | 1/20 | 0.35 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | RAF1 | P04049 | 1/20 | 0.34 |
| ▸ | ARAF | P10398 | 1/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.34 |
| ▸ | HDAC7 | Q8WUI4 | 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 | |
|---|---|---|---|---|
| SCHEMBL16637275 | 0.82 | CFTR (0.42) | CFTRBRAFHDAC1KDRALDH1A1 | |
| SCHEMBL9559940 | 0.81 | CYP3A4 (0.41) | ALDH1A1KDM4ELMNAMEN1KMT2A | |
| SCHEMBL16528370 | 0.81 | KDM4E (0.46) | CFTRALDH1A1KDM4EHSD17B10MAPT | |
| SCHEMBL16528992 | 0.80 | ALDH1A1 (0.50) | CFTRKDRALDH1A1KDM4EHPGD | |
| SCHEMBL16637057 | 0.78 | CFTR (0.64) | CFTRKDRALDH1A1KDM4EHPGD | |
| SCHEMBL23040875 | 0.76 | CFTR (0.45) | CFTRBRAFHDAC1KDRALDH1A1 | |
| SCHEMBL29417318 | 0.76 | CFTR (0.45) | CFTRBRAFHDAC1KDRALDH1A1 | |
| SCHEMBL19554287 | 0.75 | CFTR (0.49) | CFTRALDH1A1KDM4EHSD17B10MAPT | |
| SCHEMBL3549347 | 0.73 | CFTR (0.51) | CFTRKDRALDH1A1KDM4EHPGD | |
| SCHEMBL25223342 | 0.72 | SLC9A1 (0.37) | ALDH1A1KDM4EHPGDLMNAMEN1 |
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-106488910-A | Inhibitors of kras g12c | 亚瑞克西斯制药公司 | 2017-03-08 | — | — | CN | disclosed |