Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | CTBP2 | P56545 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | GLA | P06280 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.46 |
| ▸ | MMP13 | P45452 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.45 |
| ▸ | VNN1 | O95497 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL10735 | 0.86 | — | — | |
| SCHEMBL8405030 | 0.86 | CTBP2 (0.55) | NPC1RAB9ACTBP2MEN1FFAR1 | |
| Dimethylamine SCHEMBL2646042 | 0.84 | TAAR1 (0.50) | NPC1RAB9ACTBP2HDAC8HDAC6 | |
| Ammonia Solution, Strong SCHEMBL28623820 | 0.84 | TAAR1 (0.54) | CTBP2MEN1KMT2ACYP3A4POLB | |
| Acetoacetic Acid SCHEMBL1401142 | 0.79 | TSHR (0.43) | FFAR1SMN1; SMN2ALDH1A1 | |
| SCHEMBL2532630 | 0.79 | CTBP2 (0.64) | NPC1CTBP2MEN1FFAR1TP53 | |
| SCHEMBL29407189 | 0.79 | CTBP2 (0.64) | NPC1CTBP2MEN1FFAR1TP53 | |
| SCHEMBL504093 | 0.79 | CTBP2 (0.64) | NPC1CTBP2MEN1FFAR1TP53 | |
| SCHEMBL14409543 | 0.78 | VNN1 (0.55) | NPC1RAB9ASMN1; SMN2TDP1HDAC8 | |
| Benzyl Alcohol SCHEMBL29291031 | 0.78 | TSHR (0.70) | MEN1FFAR1KMT2ASMN1; SMN2ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101497567-B | Preparation of caffeic acid 3,4-dihydroxyphenyl ethyl ester and its derivative phenyl acrylic acid phenyl alkyl ester compound | ZHIZHEN ZHANG | 2012-07-25 | — | — | CN | disclosed |
| CN-101497567-A | Preparation of 3-(3,4-dihydroxyphenyl)-acrylic acid 2-(3,4-dihydroxyphenyl)-ethyl ester and derivative phenyl acrylic acid phenyl alkyl ester compound | ZHIZHEN ZHANG (CN) | 2009-08-05 | — | — | CN | disclosed |