Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | ACLY | P53396 | 1/20 | 0.31 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.31 |
| ▸ | CPT2 | P23786 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | ACACB | O00763 | 1/20 | 0.31 |
| ▸ | ACACA | Q13085 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL11940662 | 0.83 | ACLY (0.48) | CYP2D6CYP1A2MAPTCYP2C19CYP2C9 | |
| SCHEMBL600648 | 0.79 | ARG1 (0.52) | CYP2D6CYP1A2MAPTCYP2C19CYP2C9 | |
| SCHEMBL1921735 | 0.79 | CYP1A2 (0.41) | CYP2D6CYP1A2MAPTCYP2C19CYP2C9 | |
| SCHEMBL601002 | 0.79 | ARG1 (0.52) | CYP2D6CYP1A2MAPTCYP2C19CYP2C9 | |
| SCHEMBL1921733 | 0.79 | CYP1A2 (0.41) | CYP2D6CYP1A2MAPTCYP2C19CYP2C9 | |
| SCHEMBL600647 | 0.79 | ARG1 (0.52) | CYP2D6CYP1A2MAPTCYP2C19CYP2C9 | |
| SCHEMBL1012264 | 0.79 | MAPT (0.42) | CYP2D6CYP1A2MAPTCYP2C19CYP2C9 | |
| SCHEMBL5474459 | 0.78 | ALDH1A1 (0.42) | CYP2D6CYP1A2CYP2C19ALDH1A1ACLY | |
| SCHEMBL18492198 | 0.76 | CYP1A2 (0.38) | CYP2D6CYP1A2MAPTCYP2C19CYP2C9 | |
| SCHEMBL20021202 | 0.76 | CYP1A2 (0.38) | CYP2D6CYP1A2MAPTCYP2C19CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| US-5466710-A | Heterobicycloalkanes as pesticidal compounds | ROUSSEL UCLAF (FR) | 1995-11-14 | — | — | US | disclosed |
| US-5116862-A | Acetylenic trithiabicyclo(2.2.2)octanes | THE WELLCOME FOUNDATION LIMITED (GB) | 1992-05-26 | — | — | US | disclosed |
| EP-0300797-A1 | Pesticidal compounds | ROUSSEL UCLAF (FR) | 1989-01-25 | — | — | EP | disclosed |