Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.48 |
| ▸ | HPGD | P15428 | 3/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | GLA | P06280 | 2/20 | 0.48 |
| ▸ | ACHE | P22303 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.39 |
| ▸ | MBNL1 | Q9NR56 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 5/20 | 0.38 |
| ▸ | RAB9A | P51151 | 5/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | GAA | P10253 | 4/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | HTR3A | P46098 | 1/20 | 0.37 |
| ▸ | STAT3 | P40763 | 1/20 | 0.37 |
| ▸ | IKBKB | O14920 | 1/20 | 0.37 |
| ▸ | PDE2A | O00408 | 1/20 | 0.37 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.37 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.37 |
| ▸ | NQO2 | P16083 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3195264 | 0.78 | ALDH1A1 (0.46) | ALDH1A1HPGDMAPTGLAACHE | |
| SCHEMBL538069 | 0.75 | ALDH1A1 (0.52) | ALDH1A1HPGDMAPTGLAACHE | |
| SCHEMBL27941209 | 0.74 | ALDH1A1 (0.53) | ALDH1A1HPGDMAPTGLAACHE | |
| SCHEMBL2172354 | 0.74 | ALDH1A1 (0.56) | ALDH1A1HPGDMAPTGLAACHE | |
| SCHEMBL538053 | 0.71 | ALDH1A1 (0.59) | ALDH1A1HPGDMAPTGLAACHE | |
| SCHEMBL8400543 | 0.71 | ALDH1A1 (0.52) | ALDH1A1HPGDMAPTGLAACHE | |
| SCHEMBL8788163 | 0.71 | ALDH1A1 (0.52) | ALDH1A1HPGDMAPTGLAACHE | |
| SCHEMBL8788171 | 0.71 | ALDH1A1 (0.52) | ALDH1A1HPGDMAPTGLAACHE | |
| SCHEMBL13257886 | 0.71 | TDP1 (0.59) | ALDH1A1HPGDMAPTGLAACHE | |
| SCHEMBL27902966 | 0.71 | ALDH1A1 (0.52) | ALDH1A1HPGDMAPTGLAACHE |
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-105473588-B | Compound and composition as mek inhibitor | 诺华股份有限公司 | 2018-06-05 | — | — | CN | disclosed |