Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.41 |
| ▸ | TRPV1 | Q8NER1 | 5/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1457277 | 0.92 | ALDH1A1 (0.49) | ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL5126227 | 0.85 | TRPV1 (0.43) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL6410873 | 0.81 | ATM (0.43) | ALDH1A1 | |
| SCHEMBL1457142 | 0.81 | EPHX2 (0.40) | CYP1A2CYP2C19TRPV1 | |
| Hydrochloric Acid SCHEMBL1457514 | 0.80 | MEN1 (0.41) | ALDH1A1CYP2C9HPGDCYP2C19 | |
| SCHEMBL1457414 | 0.79 | TACR1 (0.41) | — | |
| SCHEMBL5115357 | 0.77 | ALDH1A1 (0.51) | ALDH1A1 | |
| Ammonia Solution, Strong SCHEMBL5112923 | 0.76 | ALDH1A1 (0.50) | ALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL1457747 | 0.76 | SMN1; SMN2 (0.38) | ALDH1A1HPGD | |
| SCHEMBL1457502 | 0.75 | MAPT (0.37) | ALDH1A1CYP1A2CYP3A4CYP2D6HPGD |
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 |
|---|---|---|---|---|---|---|---|
| EP-2292625-B1 | SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS | GRUENENTHAL GMBH (DE) | 2013-12-25 | — | — | EP | disclosed |
| EP-2292625-A1 | Substituted spiro compounds and their use for producing pain-relief medicaments | Grünenthal GmbH (DE) | 2011-03-09 | — | — | EP | disclosed |
| EP-1893620-A2 | SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF DRUGS | Grünenthal GmbH (DE) | 2008-03-05 | — | — | EP | disclosed |
| WO-2006122769-A2 | SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF DRUGS | Grünenthal GmbH (DE) | 2006-11-23 | — | — | WO | disclosed |