Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | NOS2 | P35228 | 3/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | NOS3 | P29474 | 2/20 | 0.38 |
| ▸ | NOS1 | P29475 | 2/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6776222 | 1.00 | ALDH1A1 (0.41) | ALDH1A1CYP1A2CYP3A4CYP2C9MAPK1 | |
| SCHEMBL6610959 | 0.84 | ATM (0.43) | CASP1CASP3CASP7CASP6CASP8 | |
| SCHEMBL6609360 | 0.83 | ALDH1A1 (0.39) | ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL6611623 | 0.82 | TSHR (0.40) | ALDH1A1MAPK1LMNAHTTHPGD | |
| SCHEMBL6613956 | 0.80 | ALDH1A1 (0.38) | ALDH1A1CYP1A2CYP3A4CYP2C9MAPK1 | |
| SCHEMBL6613601 | 0.80 | ALDH1A1 (0.38) | ALDH1A1CYP1A2CYP3A4CYP2C9MAPK1 | |
| SCHEMBL6613465 | 0.80 | NOS2 (0.39) | ALDH1A1CYP1A2CYP3A4CYP2C9MAPK1 | |
| SCHEMBL6777805 | 0.79 | ALDH1A1 (0.39) | ALDH1A1LMNAHPGDKMT2ACNR2 | |
| SCHEMBL6610307 | 0.79 | ALDH1A1 (0.38) | ALDH1A1MAPK1CYP2C19GAALMNA | |
| SCHEMBL6612306 | 0.79 | CASP3 (0.46) | NOS2NOS3NOS1CASP1CASP3 |
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-1212309-B1 | CASPASE INHIBITOR | LG CHEM INVESTMENT LTD (KR) | 2004-08-18 | — | — | EP | disclosed |
| US-6747050-B1 | INHIBITING THE ACTIVITY OF CASPASES, PREVENTING INFLAMMATION AND APOPTOSIS | LG CHEM INVESTMENT LTD. (KR) | 2004-06-08 | — | — | US | disclosed |