Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP2 | P08253 | 2/20 | 0.53 |
| ▸ | MMP9 | P14780 | 2/20 | 0.53 |
| ▸ | ANPEP | P15144 | 2/20 | 0.53 |
| ▸ | LTA4H | P09960 | 1/20 | 0.53 |
| ▸ | LAP3 | P28838 | 1/20 | 0.53 |
| ▸ | NPEPPS | P55786 | 1/20 | 0.53 |
| ▸ | ERAP2 | Q6P179 | 1/20 | 0.53 |
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 0.53 |
| ▸ | CTSS | P25774 | 1/20 | 0.52 |
| ▸ | CTSK | P43235 | 1/20 | 0.52 |
| ▸ | CACNA1B | Q00975 | 5/20 | 0.50 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.42 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.42 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.42 |
| ▸ | THRB | P10828 | 2/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.42 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6347304 | 1.00 | MMP2 (0.53) | MMP2MMP9ANPEPLTA4HLAP3 | |
| SCHEMBL192802 | 0.88 | CACNA1B (0.49) | MMP2MMP9ANPEPLTA4HLAP3 | |
| SCHEMBL192801 | 0.88 | CACNA1B (0.49) | MMP2MMP9ANPEPLTA4HLAP3 | |
| SCHEMBL16789062 | 0.87 | CTSS (0.49) | MMP2MMP9ANPEPLTA4HLAP3 | |
| SCHEMBL193279 | 0.86 | CACNA1B (0.52) | MMP2MMP9ANPEPLTA4HLAP3 | |
| SCHEMBL193280 | 0.86 | CACNA1B (0.52) | MMP2MMP9ANPEPLTA4HLAP3 | |
| SCHEMBL16789066 | 0.86 | CYP2D6 (0.64) | MMP2MMP9ANPEPLTA4HLAP3 | |
| SCHEMBL16789065 | 0.84 | CTSK (0.51) | MMP2MMP9ANPEPLTA4HLAP3 | |
| SCHEMBL8512028 | 0.84 | LMNA (0.60) | CTSSCTSKCYP2D6LMNACHRM2 | |
| SCHEMBL16802186 | 0.84 | CTSK (0.48) | MMP2MMP9ANPEPLTA4HLAP3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101878208-B | Substituted-quinoxaline-type-piperidine compounds and the uses thereof | PURDUE PHARMA L.P. (US) | 2014-10-15 | — | — | CN | disclosed |
| CN-101878208-A | Quinoxaline-type-piperidine compounds that replaces and uses thereof | PURDUE PHARMA LP | 2010-11-03 | — | — | CN | disclosed |
| CN-101595100-A | Piperidines as the heterocyclic substituted of ORL-1 part | PURDUE PHARMA LP (US) | 2009-12-02 | — | — | CN | disclosed |