Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.67 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.67 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.45 |
| ▸ | GLA | P06280 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.42 |
| ▸ | ABAT | P80404 | 1/20 | 0.42 |
| ▸ | UNG | P13051 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | FBP1 | P09467 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | TYR | P14679 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Benzaldehyde SCHEMBL15543028 | 0.93 | ALDH1A1 (0.70) | ALDH1A1CYP2A6TSHRAKR1C3GLA | |
| Benzaldehyde SCHEMBL8009927 | 0.91 | ALDH1A1 (0.67) | ALDH1A1CYP2A6TSHRAKR1C3GLA | |
| Benzaldehyde SCHEMBL5030151 | 0.88 | ALDH1A1 (0.64) | ALDH1A1CYP2A6TSHRAKR1C3GLA | |
| Benzaldehyde SCHEMBL8515995 | 0.86 | ALDH1A1 (0.61) | ALDH1A1CYP2A6TSHRAKR1C3GLA | |
| Benzaldehyde SCHEMBL10800754 | 0.86 | ALDH1A1 (0.67) | ALDH1A1CYP2A6TSHRAKR1C3GLA | |
| Benzaldehyde SCHEMBL5033079 | 0.85 | ALDH1A1 (0.74) | ALDH1A1CYP2A6TSHRAKR1C3GLA | |
| Benzaldehyde SCHEMBL11274415 | 0.85 | ALDH1A1 (0.74) | ALDH1A1CYP2A6TSHRAKR1C3GLA | |
| Benzaldehyde SCHEMBL3214665 | 0.85 | ALDH1A1 (0.74) | ALDH1A1CYP2A6TSHRAKR1C3GLA | |
| Benzaldehyde SCHEMBL7762594 | 0.85 | ALDH1A1 (0.82) | ALDH1A1CYP2A6TSHRAKR1C3GLA | |
| Benzaldehyde SCHEMBL6840573 | 0.85 | ALDH1A1 (0.82) | ALDH1A1CYP2A6TSHRAKR1C3GLA |
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-110229182-A | A kind of organo-silicon coupling agent and preparation method thereof | 北京航空航天大学 | 2019-09-13 | — | — | CN | disclosed |