Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 17/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CASP3 | P42574 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Naphthalene SCHEMBL8414379 | 0.88 | KMT2A (0.34) | CASP1MEN1ALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL8414696 | 0.82 | CASP1 (0.61) | CASP1MEN1ALDH1A1KMT2ACASP3 | |
| Naphthalene SCHEMBL8412953 | 0.82 | CASP3 (0.48) | CASP1CASP3 | |
| Naphthalene SCHEMBL7413352 | 0.82 | CASP3 (0.48) | CASP1CASP3 | |
| Naphthalene SCHEMBL7419594 | 0.78 | CASP1 (0.50) | CASP1CASP3 | |
| Naphthalene SCHEMBL7416123 | 0.77 | CASP3 (0.49) | CASP1ALDH1A1CASP3 | |
| Naphthalene SCHEMBL8412145 | 0.77 | OPRM1 (0.42) | KMT2A | |
| Naphthalene SCHEMBL7415860 | 0.76 | CASP1 (0.54) | CASP1 | |
| Naphthalene SCHEMBL8414632 | 0.76 | CASP3 (0.48) | CASP1CASP3 | |
| Naphthalene SCHEMBL7416964 | 0.76 | CASP1 (0.48) | CASP1CASP3 |
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-0932598-A1 | ASPARTATE ESTER INHIBITORS OF INTERLEUKIN-1$g(b) CONVERTING ENZYME | WARNER-LAMBERT COMPANY (US) | 1999-08-04 | — | — | EP | disclosed |
| WO-1998016502-A1 | ASPARTATE ESTER INHIBITORS OF INTERLEUKIN-1β CONVERTING ENZYME | WARNER-LAMBERT COMPANY (US) | 1998-04-23 | — | — | WO | disclosed |