Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | KCNN4 | O15554 | 3/20 | 0.42 |
| ▸ | ESR1 | P03372 | 2/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.36 |
| ▸ | HDAC11 | Q96DB2 | 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 | |
|---|---|---|---|---|
| SCHEMBL17135268 | 0.84 | ALDH1A1 (0.45) | ALDH1A1ALOX15MAPK1CES1KCNN4 | |
| SCHEMBL17135356 | 0.82 | CES1 (0.42) | ALDH1A1ALOX15MAPK1CES1KCNN4 | |
| SCHEMBL10709256 | 0.80 | TSHR (0.46) | ALDH1A1CYP3A4KMT2AMAPTCYP2C19 | |
| SCHEMBL10710379 | 0.78 | AOC3 (0.47) | ALDH1A1ALOX15MAPK1CES1ESR1 | |
| SCHEMBL17135263 | 0.77 | MAPK1 (0.44) | ALDH1A1ALOX15MAPK1CES1KCNN4 | |
| SCHEMBL18259095 | 0.77 | CES1 (0.52) | ALDH1A1ALOX15CES1KCNN4KMT2A | |
| SCHEMBL10711149 | 0.77 | CYP19A1 (0.42) | MAPK1KMT2AMEN1PKMTSHR | |
| SCHEMBL5372493 | 0.77 | ALDH1A1 (0.47) | ALDH1A1ALOX15MAPK1CES1KCNN4 | |
| SCHEMBL1279578 | 0.76 | ALDH1A1 (0.50) | ALDH1A1ALOX15MAPK1CES1KCNN4 | |
| SCHEMBL17135262 | 0.74 | MAPK1 (0.41) | ALDH1A1ALOX15MAPK1CES1KCNN4 |
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-0160241-B1 | PROCESS FOR PRODUCING AN ALPHA-AROMATIC GROUP SUBSTITUTED ALKANOIC ACID DERIVATIVE | KYOWA HAKKO KOGYO CO., LTD. (JP) | 1988-11-30 | — | — | EP | disclosed |
| US-4649213-A | DIALKOXYALCOHOL, REARRANGEMENTS, BASE OR AMIDE, HALO-SULFUR COMPOUND | KYOWA HAKKO KOGYO CO. LTD. (JP) | 1987-03-10 | — | — | US | disclosed |
| EP-0160241-A1 | Process for producing an alpha-aromatic group substituted alkanoic acid derivative | KYOWA HAKKO KOGYO CO., LTD. (JP) | 1985-11-06 | — | — | EP | disclosed |