Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | NAMPT | P43490 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | GFER | P55789 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | CYP46A1 | Q9Y6A2 | 1/20 | 0.37 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.36 |
| ▸ | GRM5 | P41594 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1939017 | 0.81 | NAPRT (0.41) | EPHX1NAMPTALDH1A1GAAMAPT | |
| SCHEMBL1544549 | 0.70 | L3MBTL1 (0.61) | L3MBTL1NAMPTALDH1A1GAAGFER | |
| SCHEMBL18398412 | 0.67 | NOS1 (0.64) | ALDH1A1MAPTMEN1CYP1A2CYP3A4 | |
| SCHEMBL11623816 | 0.66 | L3MBTL1 (0.74) | EPHX1L3MBTL1NAMPTALDH1A1GAA | |
| SCHEMBL23573440 | 0.65 | CYP46A1 (0.56) | L3MBTL1NAMPTALDH1A1GAAGFER | |
| SCHEMBL23573442 | 0.65 | CYP46A1 (0.56) | L3MBTL1NAMPTALDH1A1GAAGFER | |
| SCHEMBL12385843 | 0.64 | GAA (0.55) | L3MBTL1ALDH1A1GAAGFERCYP46A1 | |
| SCHEMBL17133511 | 0.64 | GAA (0.55) | L3MBTL1ALDH1A1GAAGFERCYP46A1 | |
| SCHEMBL21490121 | 0.64 | SMYD3 (0.64) | L3MBTL1ALDH1A1GAAGFERSMYD3 | |
| SCHEMBL19701280 | 0.64 | SMYD3 (0.64) | L3MBTL1ALDH1A1GAAGFERSMYD3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2331522-A2 | TETRAHYDROPYRIDINYL AND DIHYDROPYRROLYL COMPOUNDS AND THE USE THEREOF | Purdue Pharma LP (US) | 2011-06-15 | — | — | EP | claimed |
| EP-2331522-A2 | TETRAHYDROPYRIDINYL AND DIHYDROPYRROLYL COMPOUNDS AND THE USE THEREOF | Purdue Pharma LP (US) | 2011-06-15 | — | — | EP | disclosed |
| WO-2010014257-A2 | TETRAHYDROPYRIDINYL AND DIHYDROPYRROLYL COMPOUNDS AND THE USE THEREOF | PURDUE PHARMA L.P. (US) | 2010-02-04 | — | — | WO | disclosed |