Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | PMM2 | O15305 | 1/20 | 0.44 |
| ▸ | MPI | P34949 | 1/20 | 0.44 |
| ▸ | PHOSPHO1 | Q8TCT1 | 1/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.43 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.43 |
| ▸ | CTSG | P08311 | 1/20 | 0.42 |
| ▸ | CMA1 | P23946 | 1/20 | 0.42 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28016744 | 0.75 | MTNR1A (0.40) | ALDH1A1LMNAMAPK1MAPTTSHR | |
| SCHEMBL28185358 | 0.74 | MTNR1A (0.40) | ALDH1A1LMNAMAPK1MAPTTSHR | |
| SCHEMBL28158396 | 0.73 | KCNH2 (0.41) | OPRL1 | |
| SCHEMBL21815682 | 0.73 | SIGMAR1 (0.38) | ALDH1A1LMNAMAPK1GAATP53 | |
| SCHEMBL5801010 | 0.73 | ALDH1A1 (0.42) | ALDH1A1MAPK1TP53CYP1A2CYP2D6 | |
| SCHEMBL28158980 | 0.73 | FAAH (0.40) | ALDH1A1LMNAGAAOPRM1OPRL1 | |
| SCHEMBL32688194 | 0.72 | ALDH1A1 (0.55) | ALDH1A1LMNAMAPK1GAANPC1 | |
| SCHEMBL22028459 | 0.71 | SIGMAR1 (0.36) | ALDH1A1LMNAMAPK1GAATP53 | |
| SCHEMBL1408252 | 0.71 | SIGMAR1 (0.36) | ALDH1A1LMNAMAPK1GAATP53 | |
| SCHEMBL30919258 | 0.71 | SIGMAR1 (0.36) | ALDH1A1LMNAMAPK1GAATP53 |
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-104230827-B | 1-(aryl methyl) quinazoline-2,4 (1H, 3H)-diketone is as PARP inhibitor and application thereof | 南京英派药业有限公司 | 2016-10-26 | — | — | CN | disclosed |