Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | KDM1A | O60341 | 1/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.32 |
| ▸ | NCEH1 | Q6PIU2 | 1/20 | 0.32 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.31 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.31 |
| ▸ | UGT2B7 | P16662 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6683976 | 0.81 | PYCR1 (0.38) | CYP2A6KMT2AMEN1ALDH1A1L3MBTL1 | |
| SCHEMBL15352147 | 0.79 | HDAC1 (0.41) | CYP2A6KMT2AKDM4EMEN1ALDH1A1 | |
| SCHEMBL10520837 | 0.79 | IDO1 (0.39) | ALDH1A1L3MBTL1CYP3A4CYP2D6SLC6A2 | |
| SCHEMBL28771553 | 0.75 | BDKRB2 (0.39) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL27361485 | 0.72 | UGT2B7 (0.46) | CYP2A6KMT2AMEN1LMNACYP3A4 | |
| SCHEMBL13849487 | 0.71 | LMNA (0.44) | CYP2A6KMT2AKDM4EMEN1ALDH1A1 | |
| SCHEMBL2627116 | 0.71 | CYP2A6 (0.56) | CYP2A6KMT2AKDM4EMEN1ALDH1A1 | |
| SCHEMBL27647959 | 0.71 | CYP1A2 (0.37) | KDM4EALDH1A1LMNAL3MBTL1CYP3A4 | |
| SCHEMBL11484393 | 0.71 | SLC6A2 (0.47) | ALDH1A1LMNASLC6A2SLC6A4SLC6A3 | |
| SCHEMBL27558953 | 0.70 | CYP2A6 (0.48) | CYP2A6KMT2AKDM4EMEN1ALDH1A1 |
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-3753932-A1 | SUBSTITUTED BICYCLIC DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN | ESTEVE PHARMACEUTICALS, S.A. (ES) | 2020-12-23 | — | — | EP | disclosed |