Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 11/20 | 0.53 |
| ▸ | AKR1C2 | P52895 | 11/20 | 0.53 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.43 |
| ▸ | WNT3A | P56704 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.40 |
| ▸ | CDC42 | P60953 | 1/20 | 0.40 |
| ▸ | RAC1 | P63000 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | MMP2 | P08253 | 1/20 | 0.38 |
| ▸ | MMP13 | P45452 | 1/20 | 0.38 |
| ▸ | PTPRC | P08575 | 1/20 | 0.38 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.38 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.38 |
| ▸ | PTPN22 | Q9Y2R2 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL26619325 | 0.87 | AKR1C3 (0.53) | AKR1C3AKR1C2CTNNB1WNT3APTGS2 | |
| SCHEMBL11199677 | 0.86 | CYP2A6 (0.40) | AKR1C3AKR1C2CTNNB1WNT3ACYP2A6 | |
| SCHEMBL631350 | 0.81 | CTNNB1 (0.46) | CTNNB1WNT3ACYP2A6HTR2CPTPRC | |
| SCHEMBL8709209 | 0.80 | CTNNB1 (0.45) | CTNNB1WNT3ACYP2A6TSHRHTR2C | |
| SCHEMBL25669800 | 0.80 | CYP2A6 (0.42) | CTNNB1WNT3ACYP2A6TSHRHTR2C | |
| SCHEMBL19405853 | 0.78 | UGT2B7 (0.50) | CTNNB1WNT3ACYP2A6HTR2CMMP2 | |
| SCHEMBL3799813 | 0.77 | CYP2A6 (0.46) | CTNNB1WNT3ACYP2A6PTGS1HTR2C | |
| Pivalate SCHEMBL28037197 | 0.76 | CTNNB1 (0.40) | AKR1C3AKR1C2CTNNB1WNT3ACYP2A6 | |
| SCHEMBL19405816 | 0.75 | LMNA (0.43) | CYP2A6TSHRHTR2C | |
| SCHEMBL12473739 | 0.75 | CYP2A6 (0.42) | CTNNB1WNT3ACYP2A6HTR2CPTPRC |
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-4372970-A | NONPHYTOTOXIC, PHOTOSTABLE | SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) | 1983-02-08 | — | — | US | disclosed |
| WO-1981001408-A1 | SUBSTITUTED ACETIC ACID ESTERS AS PESTICIDES | SOREX LTD (GB) | 1981-05-28 | — | — | WO | disclosed |
| EP-0029360-A1 | Pesticidal compounds, compositions containing them and methods of killing arthropods using them | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1981-05-27 | — | — | EP | disclosed |