Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CPN1 | P15169 | 1/20 | 0.35 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 3/20 | 0.33 |
| ▸ | CA1 | P00915 | 3/20 | 0.33 |
| ▸ | CA2 | P00918 | 3/20 | 0.33 |
| ▸ | CA9 | Q16790 | 3/20 | 0.33 |
| ▸ | ACE | P12821 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL28168419 | 1.00 | CYP1A2 (0.37) | CYP1A2CYP3A4CYP2D6CYP2C19HPGD | |
| SCHEMBL28168420 | 1.00 | CYP1A2 (0.37) | CYP1A2CYP3A4CYP2D6CYP2C19HPGD | |
| SCHEMBL2869196 | 0.86 | — | — | |
| SCHEMBL2005723 | 0.86 | — | — | |
| SCHEMBL20699390 | 0.86 | — | — | |
| SCHEMBL23786000 | 0.81 | ALDH1A1 (0.39) | CYP1A2HPGDALDH1A1LMNACA12 | |
| SCHEMBL21722967 | 0.76 | — | — | |
| SCHEMBL2409552 | 0.76 | CA12 (0.53) | HPGDALDH1A1LMNACA12CA1 | |
| SCHEMBL1666565 | 0.76 | CA12 (0.53) | HPGDALDH1A1LMNACA12CA1 | |
| SCHEMBL200488 | 0.76 | CA12 (0.53) | HPGDALDH1A1LMNACA12CA1 |
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-109311896-A | Pyrazolopyrimidine derivatives as kinase inhibitors | 株式会社大熊制药 | 2019-02-05 | — | — | CN | disclosed |