Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | BACE1 | P56817 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.34 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.34 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.33 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.33 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL307822 | 0.80 | ALDH1A1 (0.40) | ALDH1A1HSD17B10HPGDBCL2L1CYP2A6 | |
| SCHEMBL14471688 | 0.76 | BACE1 (0.50) | ALDH1A1HSD17B10HPGDBCL2L1CYP2A6 | |
| SCHEMBL487401 | 0.76 | ALDH1A1 (0.48) | ALDH1A1HSD17B10HPGDBCL2L1CYP2A6 | |
| SCHEMBL7772167 | 0.74 | ALDH1A1 (0.39) | ALDH1A1HSD17B10HPGDBCL2L1CYP2A6 | |
| SCHEMBL2647486 | 0.72 | ALDH1A1 (0.44) | ALDH1A1HSD17B10HPGDBCL2L1CYP2A6 | |
| SCHEMBL7131111 | 0.72 | GABRA1 (0.48) | ALDH1A1HSD17B10HPGDKMT2A | |
| SCHEMBL27471399 | 0.72 | ALDH1A1 (0.44) | ALDH1A1HSD17B10HPGDBCL2L1CYP2A6 | |
| SCHEMBL2058870 | 0.72 | TSHR (0.50) | ALDH1A1MAPK1ADRB2ADRB1 | |
| SCHEMBL1210867 | 0.72 | CYP2A6 (0.48) | ALDH1A1HSD17B10HPGDBCL2L1CYP2A6 | |
| SCHEMBL11294681 | 0.71 | HTT (0.39) | ALDH1A1ADRB2ADRB1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0011279-B1 | PROCESS FOR THE PREPARATION OF AROMATICALLY SUBSTITUTED ACETIC ACIDS | SAGAMI CHEMICAL RESEARCH CENTER (JP) | 1982-05-05 | — | — | EP | disclosed |
| US-4268442-A | REACTING AN AROMATIC ALKEHYDE WITH A TRIHALOMETHANE AND AN ALKANETHIOL IN THE PRESENCE OF A BASE AND AN APROTIC SOLVENT | SAGAMI CHEMICAL RESEARCH CENTER (JP) | 1981-05-19 | — | — | US | disclosed |
| EP-0011279-A1 | Process for the preparation of aromatically substituted acetic acids | SAGAMI CHEMICAL RESEARCH CENTER (JP) | 1980-05-28 | — | — | EP | disclosed |