Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 11/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 13/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.53 |
| ▸ | TSHR | P16473 | 3/20 | 0.53 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 9/20 | 0.49 |
| ▸ | USP2 | O75604 | 5/20 | 0.49 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL4289367 | 0.78 | CYP3A4 (0.40) | ALDH1A1CYP2C9CYP2C19CYP3A4POLB | |
| SCHEMBL2941350 | 0.77 | CYP2D6 (0.50) | CYP2D6ALDH1A1CYP2C9CYP1A2CYP2C19 | |
| SCHEMBL1800729 | 0.75 | CYP2D6 (0.50) | CYP2D6ALDH1A1CYP2C9CYP1A2CYP2C19 | |
| SCHEMBL1798461 | 0.75 | CYP2D6 (0.48) | CYP2D6ALDH1A1CYP2C9CYP1A2CYP2C19 | |
| SCHEMBL4001759 | 0.74 | KMT2A (0.42) | CYP2D6ALDH1A1CYP2C9CYP2C19TSHR | |
| SCHEMBL4285003 | 0.73 | MMP2 (0.33) | — | |
| SCHEMBL6012985 | 0.73 | CCR5 (0.60) | CYP2D6CYP2C9CYP3A4 | |
| SCHEMBL1803452 | 0.73 | NPC1 (0.52) | CYP2D6ALDH1A1CYP2C9CYP1A2CYP2C19 | |
| SCHEMBL3997310 | 0.71 | CHRNA4 (0.41) | CYP2D6ALDH1A1CYP2C9CYP2C19TSHR | |
| SCHEMBL3999620 | 0.69 | MAPK1 (0.46) | ALDH1A1CYP2C19TSHRHIF1ACYP3A4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2005095402-A9 | SUBSTITUTED 1,4,8-TRIAZASPIRO[4.5]DECAN-2-ON COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY | GRUENENTHAL GMBH (DE) | 2009-06-11 | — | — | WO | claimed |
| WO-2005095402-A9 | SUBSTITUTED 1,4,8-TRIAZASPIRO[4.5]DECAN-2-ON COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY | GRUENENTHAL GMBH (DE) | 2009-06-11 | — | — | WO | disclosed |