Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | KCNN4 | O15554 | 2/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 2/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.32 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2672155 | 0.85 | CYP2C19 (0.42) | CYP2C19CYP1A2CYP2C9TSHRALDH1A1 | |
| SCHEMBL1011933 | 0.76 | KCNN4 (0.41) | CYP2C19CYP1A2CYP2C9ALDH1A1KCNN4 | |
| SCHEMBL915727 | 0.76 | KCNN4 (0.41) | CYP2C19CYP1A2CYP2C9ALDH1A1KCNN4 | |
| Toluene SCHEMBL9279078 | 0.74 | LMNA (0.50) | CYP2C19CYP2C9TSHRALDH1A1HIF1A | |
| SCHEMBL28291654 | 0.74 | KIF11 (0.46) | CYP2C19CYP1A2CYP2C9TSHRALDH1A1 | |
| SCHEMBL6916093 | 0.73 | CYP2C19 (0.55) | CYP2C19CYP1A2TSHRALDH1A1KCNN4 | |
| SCHEMBL28852270 | 0.73 | CYP2C19 (0.36) | CYP2C19CYP1A2CYP2C9TSHRALDH1A1 | |
| SCHEMBL732832 | 0.71 | ALDH1A1 (0.53) | CYP2C19CYP1A2CYP2C9TSHRALDH1A1 | |
| SCHEMBL14601175 | 0.70 | KCNN4 (0.50) | TSHRALDH1A1KCNN4IDO1TAAR1 | |
| SCHEMBL19730614 | 0.70 | TDP1 (0.40) | CYP2C19CYP1A2CYP2C9TSHRALDH1A1 |
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 4 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 |
| EP-0300797-B1 | Pesticidal compounds | ROUSSEL UCLAF (FR) | 1995-10-04 | — | — | EP | 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 |