Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | CASP3 | P42574 | 2/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | GLS | O94925 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | ELANE | P08246 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9340887 | 0.87 | ALDH1A1 (0.53) | ALDH1A1KMT2ACASP3CA12CA9 | |
| SCHEMBL14928392 | 0.86 | DRD3 (0.49) | ALDH1A1KMT2ACASP3CA12CA9 | |
| SCHEMBL18085400 | 0.86 | DRD3 (0.49) | ALDH1A1KMT2ACASP3CA12CA9 | |
| SCHEMBL7296253 | 0.85 | ALDH1A1 (0.49) | ALDH1A1KMT2ACASP3CA12CA9 | |
| SCHEMBL18222526 | 0.84 | ALDH1A1 (0.49) | ALDH1A1KMT2ACA12CA9MAPK1 | |
| SCHEMBL7260089 | 0.84 | ALDH1A1 (0.49) | ALDH1A1KMT2ACA12CA9MAPK1 | |
| SCHEMBL4580570 | 0.84 | ALDH1A1 (0.45) | ALDH1A1KMT2ACASP3CA12CA9 | |
| SCHEMBL18085388 | 0.83 | DRD3 (0.46) | ALDH1A1CES1DRD3MAOB | |
| SCHEMBL21011620 | 0.83 | DRD3 (0.46) | ALDH1A1CES1DRD3MAOB | |
| SCHEMBL14928335 | 0.83 | DRD3 (0.46) | ALDH1A1CES1DRD3MAOB |
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-2003013526-A1 | ANTICOAGULANT COMPOUNDS | MERCK & CO. INC. (US) | 2003-02-20 | — | — | WO | disclosed |