Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1B | Q00975 | 10/20 | 0.45 |
| ▸ | CCR5 | P51681 | 3/20 | 0.39 |
| ▸ | NOS3 | P29474 | 1/20 | 0.39 |
| ▸ | NOS1 | P29475 | 1/20 | 0.39 |
| ▸ | NOS2 | P35228 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 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 | |
|---|---|---|---|---|
| SCHEMBL7391056 | 0.93 | CACNA1B (0.43) | CACNA1BCCR5OPRM1OPRL1ALDH1A1 | |
| SCHEMBL7387556 | 0.87 | CACNA1B (0.42) | CACNA1BCCR5ALDH1A1MAOB | |
| SCHEMBL7389238 | 0.86 | CACNA1B (0.41) | CACNA1BOPRM1ALDH1A1MAOB | |
| SCHEMBL7381981 | 0.86 | CACNA1B (0.49) | CACNA1BCCR5NOS3NOS1NOS2 | |
| SCHEMBL7421570 | 0.83 | CACNA1B (0.43) | CACNA1BCCR5ALDH1A1MAOB | |
| SCHEMBL7385467 | 0.83 | CACNA1B (0.49) | CACNA1BCCR5OPRM1 | |
| SCHEMBL7390855 | 0.82 | CACNA1B (0.44) | CACNA1BCCR5OPRM1OPRL1 | |
| SCHEMBL7384735 | 0.81 | CACNA1B (0.43) | CACNA1BALDH1A1 | |
| SCHEMBL7383857 | 0.81 | ALDH1A1 (0.44) | CACNA1BALDH1A1 | |
| SCHEMBL7389836 | 0.81 | CACNA1B (0.69) | CACNA1BCCR5ALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6251919-B1 | ADMINISTERING ANILINE DERIVATIVE FOR THERAPY OF PAIN | WARNER-LAMBERT | 2001-06-26 | — | — | US | claimed |
| WO-1999043658-A1 | HETEROCYCLIC SUBSTITUTED ANILINE CALCIUM CHANNEL BLOCKERS | WARNER-LAMBERT COMPANY (US) | 1999-09-02 | — | — | WO | claimed |
| US-6251919-B1 | ADMINISTERING ANILINE DERIVATIVE FOR THERAPY OF PAIN | WARNER-LAMBERT | 2001-06-26 | — | — | US | disclosed |
| WO-1999043658-A1 | HETEROCYCLIC SUBSTITUTED ANILINE CALCIUM CHANNEL BLOCKERS | WARNER-LAMBERT COMPANY (US) | 1999-09-02 | — | — | WO | disclosed |