Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | TPMT | P51580 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4886573 | 0.85 | KMT2A (0.40) | KMT2ACYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL28828996 | 0.80 | ALDH1A1 (0.36) | KMT2AALDH1A1KDM4EHSD17B10HPGD | |
| SCHEMBL54507 | 0.79 | KMT2A (0.47) | KMT2ACYP1A2CYP2D6CYP2C9CYP2C19 | |
| Benzene SCHEMBL29202175 | 0.75 | KMT2A (0.50) | KMT2ACYP1A2CYP2D6CYP2C9CYP2C19 | |
| Ethylene SCHEMBL28106925 | 0.75 | KMT2A (0.44) | KMT2ACYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL6724121 | 0.74 | ALDH1A1 (0.44) | KMT2AALDH1A1KDM4EHSD17B10HPGD | |
| SCHEMBL6079187 | 0.74 | GAA (0.43) | KMT2ACYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9332735 | 0.74 | TPMT (0.58) | KMT2ACYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL30261672 | 0.74 | GAA (0.43) | KMT2ACYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL29955761 | 0.73 | ALDH1A1 (0.52) | KMT2ACYP1A2CYP2C19ALDH1A1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |