Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CHKA | P35790 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | CRHBP | P24387 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL29250917 | 0.78 | HSP90AA1 (0.41) | ALDH1A1HSP90AA1HSP90AB1KDM4EHSD17B10 | |
| SCHEMBL8788157 | 0.74 | HSP90AA1 (0.52) | ALDH1A1HSP90AA1HSP90AB1KDM4EHSD17B10 | |
| SCHEMBL30697100 | 0.73 | ALDH1A1 (0.41) | ALDH1A1HSP90AA1HSP90AB1KDM4EHSD17B10 | |
| SCHEMBL27076937 | 0.73 | ALDH1A1 (0.41) | ALDH1A1HSP90AA1HSP90AB1KDM4EHSD17B10 | |
| SCHEMBL30062263 | 0.72 | ALDH1A1 (0.38) | ALDH1A1HSP90AA1HSP90AB1KDM4EHSD17B10 | |
| SCHEMBL27076965 | 0.72 | HSP90AA1 (0.41) | ALDH1A1HSP90AA1HSP90AB1KDM4EHSD17B10 | |
| SCHEMBL23611369 | 0.72 | ALDH1A1 (0.38) | ALDH1A1HSP90AA1HSP90AB1KDM4EHSD17B10 | |
| SCHEMBL20001983 | 0.71 | P2RX7 (0.44) | — | |
| SCHEMBL29796472 | 0.71 | P2RX7 (0.44) | — | |
| SCHEMBL31574180 | 0.70 | HSP90AA1 (0.39) | ALDH1A1HSP90AA1HSP90AB1KDM4EHSD17B10 |
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-4076418-A1 | SOS1 INHIBITORS | Mirati Therapeutics, Inc. (US) | 2022-10-26 | — | — | EP | disclosed |
| WO-2021127429-A1 | SOS1 INHIBITORS | Mirati Therapeutics, Inc. (US) | 2021-06-24 | — | — | WO | disclosed |