Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 1/20 | 0.35 |
| ▸ | CD44 | P16070 | 2/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 10/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
| ▸ | MTOR | P42345 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL24258173 | 0.96 | KDM1A (0.35) | KDM1ACD44SIGMAR1MEN1KMT2A | |
| SCHEMBL21936668 | 0.92 | CD44 (0.34) | KDM1ACD44SIGMAR1MEN1KMT2A | |
| SCHEMBL24258213 | 0.84 | CD44 (0.36) | KDM1ACD44SIGMAR1MEN1KMT2A | |
| SCHEMBL15822259 | 0.79 | KDM1A (0.41) | KDM1ACD44MEN1KMT2ATP53 | |
| Hydrochloric Acid SCHEMBL15532871 | 0.78 | KDM1A (0.40) | KDM1ACD44MEN1KMT2ATP53 | |
| SCHEMBL21937081 | 0.77 | SIGMAR1 (0.33) | SIGMAR1MEN1KMT2ATP53CYP1A2 | |
| SCHEMBL24258207 | 0.74 | CES2 (0.38) | KDM1ACD44MEN1KMT2ATP53 | |
| SCHEMBL21937752 | 0.73 | SIGMAR1 (0.35) | KDM1ASIGMAR1MEN1KMT2ATP53 | |
| SCHEMBL21936942 | 0.73 | PDE7A (0.36) | SIGMAR1MEN1KMT2ATP53CYP1A2 | |
| SCHEMBL21937753 | 0.73 | SIGMAR1 (0.33) | SIGMAR1MEN1KMT2ATP53CYP1A2 |
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-2022036297-A1 | NON-HYDRATED KETONE INHIBITORS OF NAV1.7 FOR THE TREATMENT OF PAIN | SITEONE THERAPEUTICS, INC. (US) | 2022-02-17 | — | — | WO | disclosed |