Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | BRAF | P15056 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.40 |
| ▸ | HPGD | P15428 | 6/20 | 0.40 |
| ▸ | MAPT | P10636 | 5/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.40 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL24718536 | 0.88 | ALDH1A1 (0.52) | ALDH1A1RAB9ANPC1ALOX15MAPK1 | |
| SCHEMBL23496853 | 0.86 | ALDH1A1 (0.47) | ALDH1A1RAB9ANPC1ALOX15MAPK1 | |
| SCHEMBL29813201 | 0.86 | ALDH1A1 (0.47) | ALDH1A1RAB9ANPC1ALOX15MAPK1 | |
| SCHEMBL25643117 | 0.85 | ALDH1A1 (0.38) | ALDH1A1NPC1BRAFKDM4EHPGD | |
| SCHEMBL30014245 | 0.82 | ALDH1A1 (0.47) | ALDH1A1RAB9ANPC1ALOX15MAPK1 | |
| SCHEMBL23496674 | 0.79 | ALDH1A1 (0.49) | ALDH1A1RAB9ANPC1ALOX15MAPK1 | |
| SCHEMBL29813225 | 0.79 | ALDH1A1 (0.49) | ALDH1A1RAB9ANPC1ALOX15MAPK1 | |
| SCHEMBL25639709 | 0.77 | ALDH1A1 (0.47) | ALDH1A1RAB9ANPC1ALOX15MAPK1 | |
| SCHEMBL30781859 | 0.75 | ALDH1A1 (0.47) | ALDH1A1RAB9ANPC1ALOX15MAPK1 | |
| SCHEMBL27100883 | 0.75 | ALDH1A1 (0.47) | ALDH1A1RAB9ANPC1ALOX15MAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023104018-A1 | SUBSTITUTED BICYCLIC HETEROARYL COMPOUND AS KRAS G12D INHIBITOR | 苏州浦合医药科技有限公司 | 2023-06-15 | — | — | WO | disclosed |