Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 5/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3005702 | 0.86 | TACR1 (0.33) | ALDH1A1TSHR | |
| SCHEMBL2989339 | 0.85 | CXCR3 (0.35) | CCR5CYP3A4ALDH1A1CYP2D6MEN1 | |
| SCHEMBL1805280 | 0.81 | ALDH1A1 (0.53) | CYP3A4ALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL3927025 | 0.80 | CYP3A4 (0.44) | CCR5CYP3A4ALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL5151527 | 0.78 | CHRM2 (0.40) | CCR5CYP3A4ALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL1800929 | 0.77 | CYP3A4 (0.53) | CYP3A4ALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL3006559 | 0.77 | CCR5 (0.35) | CCR5ALDH1A1MEN1KMT2A | |
| SCHEMBL4037625 | 0.77 | ALDH1A1 (0.40) | CCR5CYP3A4ALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL3002193 | 0.76 | CCR5 (0.40) | CCR5 | |
| Benzamide SCHEMBL3916106 | 0.76 | GAA (0.39) | CCR5CYP3A4ALDH1A1CYP1A2CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1730147-B1 | SUBSTITUTED 1,4,8-TRIAZASPIRO[4,5]DECAN-2-ON COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY | GRUENENTHAL GMBH (DE) | 2010-02-03 | — | — | EP | claimed |