Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.31 |
| ▸ | ENTPD5 | O75356 | 1/20 | 0.31 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.31 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.30 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.30 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.30 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.30 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.30 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.30 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.30 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5926857 | 0.76 | ALDH1A1 (0.30) | ALDH1A1CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL5926597 | 0.76 | ALDH1A1 (0.30) | ALDH1A1CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL9289567 | 0.72 | PTPN1 (0.41) | ALDH1A1CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL20154502 | 0.72 | PTPN1 (0.41) | ALDH1A1CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL759448 | 0.72 | PTPN1 (0.41) | ALDH1A1CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL2705431 | 0.70 | ALDH1A1 (0.51) | ALDH1A1CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL16984768 | 0.70 | ALDH1A1 (0.51) | ALDH1A1CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL16984793 | 0.68 | PTPN1 (0.40) | ALDH1A1CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL16984862 | 0.68 | PTPN1 (0.40) | ALDH1A1CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL16984747 | 0.68 | PTPN1 (0.40) | ALDH1A1CYP3A4CYP2C9TSHRCYP2C19 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3319951-B1 | METHOD FOR THE HYDROFORMYLATION OF 2-SUBSTITUTED BUTADIENES AND FOR THE PREPARATION OF PRODUCTS DERIVED FROM SAME, PARTICULARLY FROM AMBROX | BASF SE (DE) | 2021-09-08 | — | — | EP | disclosed |