Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.39 |
| ▸ | KIF11 | P52732 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL20999978 | 1.00 | TAAR1 (0.44) | TAAR1MAPK1CYP2D6CYP1A2KCNN4 | |
| SCHEMBL9645659 | 0.82 | TAAR1 (0.46) | TAAR1MAPK1CYP2D6CYP1A2KCNN4 | |
| SCHEMBL10832421 | 0.81 | TAAR1 (0.41) | TAAR1MAPK1CYP2D6CYP1A2KCNN4 | |
| SCHEMBL20394543 | 0.81 | TAAR1 (0.41) | TAAR1MAPK1CYP2D6CYP1A2KCNN4 | |
| SCHEMBL25502576 | 0.80 | TAAR1 (0.44) | TAAR1MAPK1CYP2D6CYP1A2KCNN4 | |
| SCHEMBL28881647 | 0.80 | KIF11 (0.40) | KIF11 | |
| SCHEMBL8805204 | 0.80 | TAAR1 (0.44) | TAAR1MAPK1CYP2D6CYP1A2KCNN4 | |
| SCHEMBL575235 | 0.79 | MAPK1 (0.46) | TAAR1MAPK1CYP2D6CYP1A2KCNN4 | |
| SCHEMBL9279074 | 0.79 | MAPK1 (0.46) | TAAR1MAPK1CYP2D6CYP1A2KCNN4 | |
| SCHEMBL1751596 | 0.78 | MAPK1 (0.46) | TAAR1MAPK1CYP2D6CYP1A2KCNN4 |
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-111518166-B | Peptidomimetics compound or pharmaceutically acceptable salt thereof, and preparation method and application thereof | 中国药科大学 | 2023-01-31 | — | — | CN | disclosed |
| CN-111518166-A | Peptide-like compound or pharmaceutically acceptable salt thereof, and preparation method and application thereof | 中国药科大学 | 2020-08-11 | — | — | CN | disclosed |
| WO-2018011823-A1 | SALT OF AMINE-PROTECTED (1S,2R,4S)-1,2-AMINO-N,N-DIMETHYLCYCLOHEXANE-4-CARBOXAMIDE | MYLAN LABORATORIES LIMITED (IN) | 2018-01-18 | — | — | WO | disclosed |