Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.50 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.50 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.44 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.43 |
| ▸ | HTR1A | P08908 | 1/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.43 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.43 |
| ▸ | DRD1 | P21728 | 1/20 | 0.43 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 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 | |
|---|---|---|---|---|
| SCHEMBL11487683 | 0.90 | GRIA4 (0.49) | TAAR1AOC3RIPK1CYP1A2CYP2C19 | |
| SCHEMBL3643077 | 0.86 | HTR2A (0.59) | CYP1A2CYP2C19ALDH1A1GRIN1GRIN2A | |
| SCHEMBL3428508 | 0.82 | HTT (0.51) | TAAR1AOC3RIPK1CYP1A2CYP2C19 | |
| Hydrochloric Acid SCHEMBL11465962 | 0.82 | KDM4E (0.61) | TAAR1AOC3ALDH1A1LMNAKMT2A | |
| SCHEMBL6665484 | 0.81 | HTR2A (0.57) | TAAR1AOC3CYP1A2CYP2C19ALDH1A1 | |
| SCHEMBL14065107 | 0.81 | RIPK1 (0.48) | TAAR1AOC3RIPK1CYP1A2CYP2C19 | |
| SCHEMBL7609604 | 0.79 | MEN1 (0.57) | RIPK1KCNH2CHRM2MEN1KMT2A | |
| SCHEMBL11922992 | 0.78 | KCNH2 (0.49) | TAAR1AOC3RIPK1CYP1A2CYP2C19 | |
| SCHEMBL2471404 | 0.78 | HTR2A (0.69) | TAAR1AOC3RIPK1CYP1A2CYP2C19 | |
| SCHEMBL19905186 | 0.78 | HTR2A (0.69) | TAAR1AOC3RIPK1CYP1A2CYP2C19 |
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-1964561-A1 | Inhibitors of IMPDH enzyme | Vertex Pharmaceuticals Incorporated (US) | 2008-09-03 | — | — | EP | disclosed |