Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.53 |
| ▸ | RAB9A | P51151 | 3/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.52 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.52 |
| ▸ | TYR | P14679 | 1/20 | 0.52 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | CA3 | P07451 | 1/20 | 0.50 |
| ▸ | CA6 | P23280 | 1/20 | 0.50 |
| ▸ | CA5A | P35218 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.50 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL1620598 | 1.00 | NPC1 (0.53) | NPC1RAB9AALDH1A1CYP3A4MAPK1 | |
| SCHEMBL459327 | 0.82 | GAA (0.55) | NPC1RAB9AALDH1A1CYP3A4MAPK1 | |
| SCHEMBL16318931 | 0.79 | NPC1 (0.45) | NPC1RAB9AALDH1A1TYRMAPT | |
| SCHEMBL29950410 | 0.78 | ALDH1A1 (0.61) | NPC1RAB9AALDH1A1CYP3A4MAPK1 | |
| SCHEMBL67498 | 0.78 | ALDH1A1 (0.61) | NPC1RAB9AALDH1A1CYP3A4MAPK1 | |
| SCHEMBL340086 | 0.78 | NPC1 (0.60) | NPC1RAB9AALDH1A1CYP3A4MAPK1 | |
| SCHEMBL29513208 | 0.78 | CA12 (0.50) | ALDH1A1MAPTKMT2ACA9CA14 | |
| SCHEMBL254529 | 0.78 | CA12 (0.50) | ALDH1A1MAPTKMT2ACA9CA14 | |
| SCHEMBL2701547 | 0.77 | LTA4H (0.52) | NPC1RAB9AALDH1A1MAPK1SMN1; SMN2 | |
| SCHEMBL51705 | 0.76 | POLB (0.61) | NPC1RAB9AALDH1A1CYP3A4MAPK1 |
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-4240489-A1 | KRAS G12D INHIBITORS | Mirati Therapeutics, Inc. (US) | 2023-09-13 | — | — | EP | disclosed |
| WO-2022098625-A1 | KRAS G12D INHIBITORS | Mirati Therapeutics, Inc. (US) | 2022-05-12 | — | — | WO | disclosed |