Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | CTSA | P10619 | 1/20 | 0.39 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.37 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | KMO | O15229 | 2/20 | 0.36 |
| ▸ | PIN1 | Q13526 | 2/20 | 0.36 |
| ▸ | GABRP | O00591 | 1/20 | 0.36 |
| ▸ | GABRD | O14764 | 1/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1428059 | 0.98 | ALDH1A1 (0.46) | ALDH1A1SMN1; SMN2MAPK1MEN1KMT2A | |
| SCHEMBL29439572 | 0.98 | ALDH1A1 (0.46) | ALDH1A1SMN1; SMN2MAPK1MEN1KMT2A | |
| SCHEMBL20209504 | 0.82 | ALDH1A1 (0.38) | ALDH1A1SMN1; SMN2MAPK1MEN1KMT2A | |
| Clopyralid SCHEMBL726319 | 0.81 | KMT2A (0.49) | ALDH1A1SMN1; SMN2MEN1KMT2ACYP2C9 | |
| Clopyralid SCHEMBL29256280 | 0.81 | KMT2A (0.49) | ALDH1A1SMN1; SMN2MEN1KMT2ACYP2C9 | |
| SCHEMBL31559908 | 0.80 | POLB (0.43) | ALDH1A1SMN1; SMN2MAPK1MEN1KMT2A | |
| SCHEMBL22715879 | 0.80 | POLB (0.43) | ALDH1A1SMN1; SMN2MAPK1MEN1KMT2A | |
| Clopyralid SCHEMBL29371357 | 0.79 | KMT2A (0.50) | ALDH1A1SMN1; SMN2MEN1KMT2ACYP2C9 | |
| Clopyralid SCHEMBL54779 | 0.79 | KMT2A (0.50) | ALDH1A1SMN1; SMN2MEN1KMT2ACYP2C9 | |
| Clopyralid SCHEMBL8535196 | 0.79 | KMT2A (0.50) | ALDH1A1SMN1; SMN2MEN1KMT2ACYP2C9 |
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-105793236-A | Dimethylbenzoic acid compound | 伊莱利利公司 | 2016-07-20 | — | — | CN | disclosed |