Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.44 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.43 |
| ▸ | ADRB1 | P08588 | 3/20 | 0.42 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.40 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.40 |
| ▸ | CDC42BPB | Q9Y5S2 | 1/20 | 0.40 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.40 |
| ▸ | HTR3B | O95264 | 1/20 | 0.40 |
| ▸ | HTR3A | P46098 | 1/20 | 0.40 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.40 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.40 |
| ▸ | HTR6 | P50406 | 2/20 | 0.39 |
| ▸ | HTR7 | P34969 | 2/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | NCF1 | P14598 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL21561036 | 0.87 | ALDH1A1 (0.51) | ALDH1A1TAAR1OPRL1ADRB1ROCK2 | |
| SCHEMBL24984213 | 0.86 | ALDH1A1 (0.48) | ALDH1A1TAAR1OPRL1ADRB1ROCK2 | |
| SCHEMBL30164103 | 0.86 | ALDH1A1 (0.48) | ALDH1A1TAAR1OPRL1ADRB1ROCK2 | |
| SCHEMBL30164114 | 0.85 | ALDH1A1 (0.47) | ALDH1A1TAAR1OPRL1ROCK2ROCK1 | |
| SCHEMBL459207 | 0.82 | ALDH1A1 (0.57) | ALDH1A1OPRL1ADRB1ROCK2ROCK1 | |
| SCHEMBL470183 | 0.81 | ADRB1 (0.47) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL30164062 | 0.78 | ALDH1A1 (0.44) | ALDH1A1TAAR1OPRL1ADRB1ROCK2 | |
| SCHEMBL24984214 | 0.78 | ALDH1A1 (0.44) | ALDH1A1TAAR1OPRL1ADRB1ROCK2 | |
| SCHEMBL458482 | 0.77 | MAPT (0.56) | ALDH1A1 | |
| SCHEMBL23570925 | 0.77 | ALDH1A1 (0.45) | ALDH1A1TAAR1OPRL1ADRB1ROCK2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012033736-A1 | NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-03-15 | — | — | WO | disclosed |