Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 3/20 | 0.36 |
| ▸ | CES1 | P23141 | 2/20 | 0.36 |
| ▸ | CDC25A | P30304 | 2/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.35 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.34 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4418501 | 0.88 | CES1 (0.45) | CNR2CES1CDC25ACNR1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL6308299 | 0.87 | CES1 (0.44) | CNR2CES1CDC25ACNR1ALDH1A1 | |
| SCHEMBL4413406 | 0.84 | IDO1 (0.39) | OPRM1OPRK1OPRL1ALDH1A1 | |
| SCHEMBL9052938 | 0.78 | CDC25A (0.47) | CNR2CDC25ACNR1ALDH1A1ALDH2 | |
| SCHEMBL4415292 | 0.73 | ALDH1A1 (0.44) | CES1OPRM1OPRK1OPRL1ALDH1A1 | |
| SCHEMBL4412269 | 0.71 | HTR2A (0.39) | CES1OPRM1OPRK1OPRL1ALDH1A1 | |
| SCHEMBL4410716 | 0.68 | PSEN1 (0.40) | CES1ALDH1A1 | |
| SCHEMBL6305865 | 0.68 | PSEN1 (0.40) | ALDH1A1 | |
| SCHEMBL6060774 | 0.68 | HTR2A (0.54) | — | |
| SCHEMBL1449246 | 0.68 | HTR2A (0.54) | — |
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-1042298-A1 | POLYCYCLIC ALPHA-AMINO-EPSILON-CAPROLACTAMS AND RELATED COMPOUNDS | Elan Pharmaceuticals, Inc. (US) | 2000-10-11 | — | — | EP | disclosed |
| WO-1999032453-A1 | POLYCYCLIC α-AMINO-⊂-CAPROLACTAMS AND RELATED COMPOUNDS | ELAN PHARMACEUTICALS, INC. (US) | 1999-07-01 | — | — | WO | disclosed |