Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | FBP1 | P09467 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.37 |
| ▸ | GSK3B | P49841 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9260971 | 1.00 | AKR1C3 (0.43) | AKR1C3CYP3A4CYP2C9FBP1ALDH1A1 | |
| SCHEMBL9433556 | 0.79 | ALDH1A1 (0.40) | AKR1C3CYP3A4CYP2C9FBP1ALDH1A1 | |
| SCHEMBL4632149 | 0.79 | ALDH1A1 (0.40) | AKR1C3CYP3A4CYP2C9FBP1ALDH1A1 | |
| SCHEMBL4632150 | 0.79 | ALDH1A1 (0.40) | AKR1C3CYP3A4CYP2C9FBP1ALDH1A1 | |
| SCHEMBL1689704 | 0.78 | TRPA1 (0.44) | CYP2C9FBP1ALDH1A1GSK3BHTT | |
| SCHEMBL1689703 | 0.78 | TRPA1 (0.44) | CYP2C9FBP1ALDH1A1GSK3BHTT | |
| SCHEMBL9310823 | 0.77 | KDM1A (0.46) | AKR1C3CYP3A4CYP2C9FBP1ALDH1A1 | |
| SCHEMBL256695 | 0.77 | KDM1A (0.46) | AKR1C3CYP3A4CYP2C9FBP1ALDH1A1 | |
| SCHEMBL6725291 | 0.77 | MAOB (0.40) | AKR1C3CYP3A4CYP2C9ALDH1A1TSHR | |
| SCHEMBL14416291 | 0.77 | KDM1A (0.46) | AKR1C3CYP3A4CYP2C9FBP1ALDH1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5462961-A | Insecticides, acaricides, fungicides | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1995-10-31 | — | — | US | disclosed |
| EP-0390498-B1 | A heterocyclic compound, production of same and use | SUMITOMO CHEMICAL CO (JP) | 1994-07-27 | — | — | EP | disclosed |
| EP-0390498-A1 | A heterocyclic compound, production of same and use | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1990-10-03 | — | — | EP | disclosed |
| US-4267359-A | Novel carboxylic acid esters | ZOECON CORPORATION (US) | 1981-05-12 | — | — | US | disclosed |
| US-4204071-A | 4-Aryl-3-butenoic acids and lower alkyl esters | ZOECON CORPORATION (US) | 1980-05-20 | — | — | US | disclosed |