Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.57 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.48 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 4/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 3/20 | 0.45 |
| ▸ | CA2 | P00918 | 3/20 | 0.45 |
| ▸ | CA12 | O43570 | 2/20 | 0.45 |
| ▸ | CA7 | P43166 | 2/20 | 0.45 |
| ▸ | CA9 | Q16790 | 2/20 | 0.45 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1345444 | 0.82 | GABRA1 (0.52) | ALDH1A1GABRA1GABRB2TSHRKMT2A | |
| SCHEMBL31517035 | 0.82 | GABRA1 (0.52) | ALDH1A1GABRA1GABRB2TSHRKMT2A | |
| SCHEMBL18177743 | 0.82 | GABRA1 (0.47) | ALDH1A1GABRA1GABRB2TSHRKMT2A | |
| SCHEMBL11299574 | 0.81 | GABRA1 (0.45) | ALDH1A1GABRA1GABRB2TSHRKMT2A | |
| Ammonia Solution, Strong SCHEMBL7530772 | 0.81 | GABRA1 (0.45) | ALDH1A1GABRA1GABRB2TSHRKMT2A | |
| SCHEMBL28018515 | 0.81 | KMT2A (0.48) | ALDH1A1GABRA1GABRB2TSHRKMT2A | |
| Hydrochloric Acid SCHEMBL8622407 | 0.79 | GABRA1 (0.44) | ALDH1A1GABRA1GABRB2TSHRKMT2A | |
| Hydrochloric Acid SCHEMBL27524511 | 0.79 | GABRA1 (0.44) | ALDH1A1GABRA1GABRB2TSHRKMT2A | |
| SCHEMBL6487230 | 0.78 | ALDH1A1 (0.56) | ALDH1A1KMT2A | |
| SCHEMBL28996258 | 0.78 | ALDH1A1 (0.56) | ALDH1A1TSHRKMT2A |
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-103086881-B | Method by 2-hydroxyl the third dicyan synthesis a-hydroxycarboxylic acid esters | 上海合全药业股份有限公司 | 2016-08-17 | — | — | CN | disclosed |
| CN-103086881-A | Method for synthesizing alpha-hydroxy carboxylic ester with 2-hydroxy propylene cyanide | WUXI APPTEC CO LTD | 2013-05-08 | — | — | CN | disclosed |