Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 4/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 2/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL15211238 | 0.90 | KMT2A (0.42) | KMT2ACYP1A2CYP2C9CYP2C19EPHX1 | |
| SCHEMBL17444874 | 0.80 | KMT2A (0.41) | KMT2ACYP1A2CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL17431437 | 0.79 | KMT2A (0.43) | KMT2ACYP1A2CYP2C9CYP2C19EPHX1 | |
| SCHEMBL15211237 | 0.78 | KEAP1 (0.56) | KMT2ACYP1A2CYP2C9CYP2C19EPHX1 | |
| SCHEMBL2708161 | 0.73 | CYP1A2 (0.56) | KMT2ACYP1A2CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL15211443 | 0.73 | ABCB11 (0.40) | KMT2ACYP1A2CYP2C9CYP2C19EPHX1 | |
| SCHEMBL28921963 | 0.72 | CYP1A2 (0.54) | KMT2ACYP1A2CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL15211282 | 0.69 | NR4A2 (0.49) | KMT2AALDH1A1POLBSMN1; SMN2MAPT | |
| Butyric Acid SCHEMBL28317751 | 0.69 | TDP1 (0.53) | KMT2ACYP1A2CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL15211204 | 0.68 | GRM4 (0.37) | KMT2AALDH1A1TP53SMN1; SMN2MAPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-104254525-B | aromatic ring compound | TAKEDA PHARMACEUTICAL CO.,LTD. (JP) | 2016-05-25 | — | — | CN | disclosed |