Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 1/20 | 0.52 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.52 |
| ▸ | SLC6A12 | P48065 | 3/20 | 0.52 |
| ▸ | SLC6A13 | Q9NSD5 | 2/20 | 0.52 |
| ▸ | DRD4 | P21917 | 1/20 | 0.52 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.49 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.49 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | NAMPT | P43490 | 1/20 | 0.49 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.49 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.49 |
| ▸ | TMEM97 | Q5BJF2 | 4/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL62381 | 0.86 | ROCK2 (0.51) | ROCK2ROCK1SLC6A12SLC6A13DRD4 | |
| SCHEMBL13809376 | 0.86 | TRPV1 (0.45) | TRPV1KMT2ATAAR1MAPK1GAA | |
| SCHEMBL13809378 | 0.84 | HDAC1 (0.64) | ROCK2ROCK1SLC6A12SLC6A13DRD4 | |
| SCHEMBL61323 | 0.84 | AKR1B1 (0.57) | ROCK2ROCK1SLC6A12SLC6A13DRD4 | |
| SCHEMBL60899 | 0.82 | AKR1B1 (0.56) | ROCK2ROCK1SLC6A12SLC6A13DRD4 | |
| SCHEMBL61826 | 0.82 | DRD4 (0.61) | ROCK2ROCK1SLC6A12SLC6A13DRD4 | |
| SCHEMBL62545 | 0.81 | PRKAA2 (0.47) | ROCK2ROCK1SLC6A12SLC6A13DRD4 | |
| SCHEMBL61475 | 0.80 | DRD4 (0.55) | SLC6A12DRD4SIGMAR1KMT2AAKR1B1 | |
| SCHEMBL61090 | 0.80 | HDAC1 (0.58) | ROCK2ROCK1SLC6A12SLC6A13DRD4 | |
| SCHEMBL10168432 | 0.80 | AKR1B1 (0.56) | ROCK2ROCK1SLC6A12SLC6A13DRD4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011123681-A1 | METHODS FOR USING CARBOXAMIDE, SULFONAMIDE AND AMINE COMPOUNDS | RIGEL PHARMACEUTICALS, INC. (US) | 2011-10-06 | — | — | WO | disclosed |