Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | DAO | P14920 | 1/20 | 0.33 |
| ▸ | DDO | Q99489 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 3/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | PDE7A | Q13946 | 2/20 | 0.31 |
| ▸ | GFER | P55789 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL24756943 | 0.79 | CYP1A2 (0.69) | CYP1A2PARP1DAODDOALDH1A1 | |
| SCHEMBL24757550 | 0.69 | ALDH1A1 (0.60) | CYP1A2ALDH1A1HPGDALOX15HSD17B10 | |
| SCHEMBL29914966 | 0.68 | PARP1 (0.54) | CYP1A2PARP1DAODDOCA12 | |
| SCHEMBL20967267 | 0.67 | CYP2A6 (0.39) | CYP1A2PARP1KDM4EACHE | |
| SCHEMBL5249445 | 0.67 | ACHE (0.41) | CYP1A2PARP1ALDH1A1HPGDHSD17B10 | |
| SCHEMBL4112541 | 0.63 | ALDH1A1 (0.53) | CYP1A2PARP1ALDH1A1HPGDHSD17B10 | |
| SCHEMBL29788341 | 0.63 | ALDH1A1 (0.53) | CYP1A2PARP1ALDH1A1HPGDHSD17B10 | |
| SCHEMBL20356021 | 0.63 | CYP1A2 (0.42) | CYP1A2PARP1DAODDOALDH1A1 | |
| SCHEMBL14596479 | 0.63 | ACHE (0.52) | CYP1A2PARP1ALDH1A1HPGDHSD17B10 | |
| SCHEMBL24652317 | 0.63 | MEN1 (0.46) | CYP1A2DAODDOALDH1A1HPGD |
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-2022266206-A1 | KRAS INHIBITOR CONJUGATES | ERASCA, INC. (US) | 2022-12-22 | — | — | WO | disclosed |