Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | MME | P08473 | 2/20 | 0.33 |
| ▸ | ACE | P12821 | 2/20 | 0.33 |
| ▸ | CPA1 | P15085 | 2/20 | 0.33 |
| ▸ | ACE2 | Q9BYF1 | 2/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.32 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.32 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.31 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | HRH1 | P35367 | 1/20 | 0.31 |
| ▸ | DRD3 | P35462 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL12155316 | 0.84 | ALDH1A1 (0.36) | ALDH1A1MMEACECPA1ACE2 | |
| SCHEMBL13612613 | 0.81 | CA2 (0.39) | ALDH1A1ACE2CA2MAPK1KDM4C | |
| SCHEMBL17772985 | 0.79 | ALDH1A1 (0.38) | ALDH1A1MMEACECPA1ACE2 | |
| SCHEMBL13472111 | 0.78 | ALDH1A1 (0.33) | ALDH1A1MMEACECPA1ACE2 | |
| SCHEMBL28389417 | 0.78 | ALDH1A1 (0.37) | ALDH1A1MMEACECPA1ACE2 | |
| SCHEMBL14889910 | 0.77 | ALDH1A1 (0.39) | ALDH1A1MMEACECPA1ACE2 | |
| SCHEMBL3527314 | 0.77 | ALDH1A1 (0.39) | ALDH1A1MMEACECPA1ACE2 | |
| SCHEMBL196729 | 0.77 | ALDH1A1 (0.39) | ALDH1A1MMEACECPA1ACE2 | |
| SCHEMBL3149648 | 0.77 | ALDH1A1 (0.39) | ALDH1A1MMEACECPA1ACE2 | |
| SCHEMBL196730 | 0.77 | ALDH1A1 (0.39) | ALDH1A1MMEACECPA1ACE2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6117841-A | USED TO TREAT STROKE, CEREBRAL ISCHEMIA, PAIN, HEAD TRAUMA OR EPILEPSY | WARNER-LAMBERT COMPANY (US) | 2000-09-12 | — | — | US | claimed |
| US-6117841-A | USED TO TREAT STROKE, CEREBRAL ISCHEMIA, PAIN, HEAD TRAUMA OR EPILEPSY | WARNER-LAMBERT COMPANY (US) | 2000-09-12 | — | — | US | disclosed |
| WO-1998054123-A1 | SUBSTITUTED PEPTIDYLAMINE CALCIUM CHANNEL BLOCKERS | WARNER-LAMBERT COMPANY (US) | 1998-12-03 | — | — | WO | disclosed |