Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1B | Q00975 | 10/20 | 0.49 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | CTSD | P07339 | 1/20 | 0.36 |
| ▸ | CCR5 | P51681 | 1/20 | 0.35 |
| ▸ | NOS3 | P29474 | 1/20 | 0.35 |
| ▸ | NOS1 | P29475 | 1/20 | 0.35 |
| ▸ | NOS2 | P35228 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7391029 | 0.88 | CACNA1B (0.45) | CACNA1BALDH1A1TP53MAPTTHRB | |
| SCHEMBL7380663 | 0.86 | CACNA1B (0.45) | CACNA1BALDH1A1CCR5NOS3NOS1 | |
| SCHEMBL7389836 | 0.84 | CACNA1B (0.69) | CACNA1BALDH1A1CCR5 | |
| SCHEMBL7392554 | 0.82 | CACNA1B (0.45) | CACNA1BHTR2A | |
| SCHEMBL7385467 | 0.81 | CACNA1B (0.49) | CACNA1BCTSDCCR5 | |
| SCHEMBL7392235 | 0.80 | CACNA1B (0.65) | CACNA1BALDH1A1HTR2A | |
| SCHEMBL7391056 | 0.79 | CACNA1B (0.43) | CACNA1BALDH1A1CCR5 | |
| SCHEMBL7393443 | 0.78 | CACNA1B (0.51) | CACNA1BALDH1A1MAPTHTT | |
| SCHEMBL7392965 | 0.78 | CACNA1B (0.66) | CACNA1BALDH1A1TP53CCR5 | |
| SCHEMBL7384583 | 0.78 | CACNA1B (0.63) | CACNA1BALDH1A1TP53 |
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 |