Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 9/20 | 0.43 |
| ▸ | MAOA | P21397 | 7/20 | 0.43 |
| ▸ | KDM1A | O60341 | 5/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.43 |
| ▸ | HTR2C | P28335 | 5/20 | 0.43 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | HTR1A | P08908 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.43 |
| ▸ | DRD3 | P35462 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 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 | |
|---|---|---|---|---|
| SCHEMBL17029480 | 1.00 | TSHR (0.44) | TSHRMAOBMAOAKDM1ACYP2C19 | |
| SCHEMBL18022509 | 1.00 | TSHR (0.44) | TSHRMAOBMAOAKDM1ACYP2C19 | |
| SCHEMBL5019134 | 1.00 | TSHR (0.44) | TSHRMAOBMAOAKDM1ACYP2C19 | |
| SCHEMBL11421880 | 0.85 | TSHR (0.52) | TSHRMAOBMAOAKDM1ACYP2C19 | |
| SCHEMBL20408754 | 0.80 | HTR2A (0.41) | CYP2C19HTR2CCYP1A2CYP2C9CYP3A4 | |
| SCHEMBL20408746 | 0.80 | HTR2A (0.41) | CYP2C19HTR2CCYP1A2CYP2C9CYP3A4 | |
| SCHEMBL13484242 | 0.80 | HTR2A (0.41) | CYP2C19HTR2CCYP1A2CYP2C9CYP3A4 | |
| SCHEMBL20408755 | 0.78 | ESR2 (0.44) | KDM1A | |
| SCHEMBL13484238 | 0.78 | ESR2 (0.44) | KDM1A | |
| SCHEMBL20408742 | 0.78 | KDM1A (0.47) | KDM1AHTR2CSLC6A2SLC6A3HTR2B |
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-3052096-B1 | INHIBITORS OF ERK AND METHODS OF USE | KURA ONCOLOGY INC (US) | 2018-01-17 | — | — | EP | disclosed |