Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | CCR5 | P51681 | 8/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL4037819 | 0.87 | CCR5 (0.38) | ALDH1A1CYP3A4CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL4034900 | 0.83 | CXCR3 (0.40) | ALDH1A1CCR5KDM4ELMNAHTT | |
| SCHEMBL3927025 | 0.83 | CYP3A4 (0.44) | ALDH1A1CYP3A4CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL4037166 | 0.82 | CACNA1G (0.38) | CCR5NPSR1 | |
| Benzamide SCHEMBL4034408 | 0.81 | GAA (0.36) | ALDH1A1CYP3A4CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL4035065 | 0.81 | CYP3A4 (0.38) | CYP3A4CCR5 | |
| SCHEMBL4037470 | 0.81 | GAA (0.44) | ALDH1A1CCR5KDM4ELMNAHTT | |
| SCHEMBL5151527 | 0.81 | CHRM2 (0.40) | ALDH1A1CYP3A4CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL1805280 | 0.80 | ALDH1A1 (0.53) | ALDH1A1CYP3A4CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL1800929 | 0.80 | CYP3A4 (0.53) | ALDH1A1CYP3A4CYP1A2CYP2C9CYP2C19 |
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-1730144-B1 | SUBSTITUTED 1,4,8-TRIAZASPIRO¬4.5 DECAN-2-ONE COMPOUNDS | GRUENENTHAL GMBH (DE) | 2009-06-10 | — | — | EP | claimed |