Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | PKM | P14618 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | UTS2R | Q9UKP6 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL30018228 | 0.63 | TNK2 (0.42) | KMT2APKMCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL3340214 | 0.63 | ALDH1A1 (0.33) | KMT2APKMCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL3341705 | 0.63 | ALDH1A1 (0.33) | KMT2APKMCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL3342929 | 0.63 | ALDH1A1 (0.33) | KMT2APKMCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL6363800 | 0.61 | TDP1 (0.32) | KMT2APKMCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL23343507 | 0.61 | GRM4 (0.53) | KMT2APKMCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL19172648 | 0.61 | GRM4 (0.53) | KMT2APKMCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL3818983 | 0.60 | TNK2 (0.40) | KMT2APKMCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL30578309 | 0.59 | POLB (0.46) | KMT2APKMCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL30764028 | 0.59 | — | — |
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-112174960-B | Toll-like receptor modulating 4, 6-diamino-pyrido [3,2-D ] pyrimidine compounds | 吉利德科学公司 | 2023-10-10 | — | — | CN | disclosed |