Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CD44 | P16070 | 2/20 | 0.36 |
| ▸ | KDM1A | O60341 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.32 |
| ▸ | TSHR | P16473 | 3/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | GID4 | Q8IVV7 | 1/20 | 0.32 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | CASP1 | P29466 | 1/20 | 0.31 |
| ▸ | CASP7 | P55210 | 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 | |
|---|---|---|---|---|
| SCHEMBL21936668 | 0.92 | CD44 (0.34) | CD44KDM1AALDH1A1HPGDKDM4E | |
| SCHEMBL24258173 | 0.88 | KDM1A (0.35) | CD44KDM1AALDH1A1HPGDKDM4E | |
| SCHEMBL24258225 | 0.84 | KDM1A (0.35) | CD44KDM1AALDH1A1HPGDKDM4E | |
| SCHEMBL23356013 | 0.78 | CD44 (0.35) | CD44KDM1AALDH1A1HPGDKDM4E | |
| SCHEMBL9507986 | 0.78 | ALDH1A1 (0.38) | CD44KDM1AALDH1A1HPGDKDM4E | |
| SCHEMBL30791259 | 0.78 | CD44 (0.35) | CD44KDM1AALDH1A1HPGDKDM4E | |
| SCHEMBL17963533 | 0.75 | HDAC4 (0.38) | KDM1AALDH1A1CYP3A4TSHRTP53 | |
| SCHEMBL19041482 | 0.75 | LDHA (0.35) | KDM1AALDH1A1CYP3A4TSHRGID4 | |
| SCHEMBL24258172 | 0.75 | KDM1A (0.33) | KDM1AALDH1A1CYP3A4TSHRTP53 | |
| SCHEMBL4814969 | 0.73 | PARP1 (0.34) | CD44KDM1AALDH1A1HPGDKDM4E |
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 |