Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | KMO | O15229 | 1/20 | 0.40 |
| ▸ | PLA2G2A | P14555 | 7/20 | 0.36 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.35 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.34 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.34 |
| ▸ | RARB | P10826 | 1/20 | 0.33 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.33 |
| ▸ | ADH5 | P11766 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL16285371 | 0.85 | ALDH1A1 (0.48) | ALDH1A1KMOPLA2G2ATRPM8RARB | |
| SCHEMBL5009740 | 0.78 | LOXL2 (0.46) | ALDH1A1KMOADH5 | |
| Hydrochloric Acid SCHEMBL1272214 | 0.76 | ALDH1A1 (0.55) | ALDH1A1PLA2G2ARARBADH5 | |
| SCHEMBL16285376 | 0.76 | CCR1 (0.48) | ALDH1A1KMOPLA2G2ARARBADH5 | |
| SCHEMBL21676846 | 0.73 | KMO (0.39) | ALDH1A1KMOPLA2G2ATRPM8HIF1A | |
| SCHEMBL31546321 | 0.73 | ALDH1A1 (0.51) | ALDH1A1KMOPLA2G2ACYP4F2CYP4A11 | |
| SCHEMBL21676847 | 0.73 | MRGPRX4 (0.44) | KMO | |
| SCHEMBL351473 | 0.72 | LOXL2 (0.46) | — | |
| SCHEMBL9771736 | 0.69 | BTK (0.54) | ALDH1A1KMOHIF1A | |
| SCHEMBL1098065 | 0.67 | KMO (0.43) | ALDH1A1KMOPLA2G2ARARBADH5 |
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-1169318-A1 | PRODRUGS OF THROMBIN INHIBITORS | BASF AKTIENGESELLSCHAFT (DE) | 2002-01-09 | — | — | EP | disclosed |
| WO-2000061577-A1 | PRODRUGS OF THROMBIN INHIBITORS | BASF AKTIENGESELLSCHAFT (DE) | 2000-10-19 | — | — | WO | disclosed |