Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.41 |
| ▸ | DHFR | P00374 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 2/20 | 0.39 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.33 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | CASP7 | P55210 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4649326 | 0.83 | ALDH1A1 (0.35) | TAAR1DHFRALDH1A1TSHRCYP1A2 | |
| SCHEMBL3668922 | 0.79 | CYP3A4 (0.37) | ALDH1A1TSHRCYP1A2HSD17B10ALOX15 | |
| SCHEMBL3165405 | 0.77 | CALM1 (0.41) | ALDH1A1TSHRHSD17B10ALOX15CYP3A4 | |
| SCHEMBL30912247 | 0.76 | ALDH1A1 (0.50) | TAAR1DHFRIDO1SLC2A1ALDH1A1 | |
| Bromide SCHEMBL8174311 | 0.75 | CALM1 (0.39) | ALDH1A1TSHRHSD17B10ALOX15CYP3A4 | |
| Hydrochloric Acid SCHEMBL3291591 | 0.75 | CALM1 (0.39) | ALDH1A1HSD17B10ALOX15CYP3A4TDP1 | |
| SCHEMBL2992110 | 0.74 | CYP3A4 (0.44) | TAAR1ALDH1A1TSHRALOX15CASP7 | |
| Bromide SCHEMBL5127808 | 0.74 | DHFR (0.43) | TAAR1DHFRIDO1SLC2A1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL2981068 | 0.73 | CYP3A4 (0.43) | TAAR1ALDH1A1TSHRALOX15CASP7 | |
| SCHEMBL30885500 | 0.71 | ALDH1A1 (0.54) | TAAR1DHFRIDO1SLC2A1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1966138-A2 | SUBSTITUTED TRICYCLIC PIPERIDONE DERIVATIVES | Grünenthal GmbH (DE) | 2008-09-10 | — | — | EP | disclosed |
| WO-2007079929-A2 | SUBSTITUTED TRICYCLIC PIPERIDONE DERIVATIVES | Grünenthal GmbH (DE) | 2007-07-19 | — | — | WO | disclosed |