Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.60 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.60 |
| ▸ | TSHR | P16473 | 2/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.60 |
| ▸ | MEN1 | O00255 | 1/20 | 0.60 |
| ▸ | MAPT | P10636 | 1/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.60 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.50 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.35 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.34 |
| ▸ | UGT2B7 | P16662 | 3/20 | 0.34 |
| ▸ | TTL | Q8NG68 | 3/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL18216691 | 1.00 | ALDH1A1 (0.60) | ALDH1A1CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL16816912 | 1.00 | ALDH1A1 (0.60) | ALDH1A1CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL16984810 | 1.00 | ALDH1A1 (0.60) | ALDH1A1CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL16816911 | 1.00 | ALDH1A1 (0.60) | ALDH1A1CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL18949251 | 1.00 | ALDH1A1 (0.60) | ALDH1A1CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL12260912 | 0.89 | ALDH1A1 (0.57) | ALDH1A1CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL4781025 | 0.89 | ALDH1A1 (0.57) | ALDH1A1CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL4780642 | 0.89 | ALDH1A1 (0.60) | ALDH1A1CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL21617318 | 0.89 | ALDH1A1 (0.57) | ALDH1A1CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL4780814 | 0.89 | ALDH1A1 (0.57) | 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 |
|---|---|---|---|---|---|---|---|
| WO-2015113570-A1 | METHODS FOR PRODUCING DITERPENES | UNIVERSITY OF COPENHAGEN (DK) | 2015-08-06 | — | — | WO | disclosed |