Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 8/20 | 0.59 |
| ▸ | HPGD | P15428 | 5/20 | 0.59 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.59 |
| ▸ | LMNA | P02545 | 3/20 | 0.59 |
| ▸ | MEN1 | O00255 | 3/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.59 |
| ▸ | MAPT | P10636 | 2/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | PAK1 | Q13153 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| Pentachlorophenol SCHEMBL5158932 | 0.92 | TSHR (0.56) | TSHRHPGDHSD17B10ALDH1A1LMNA | |
| Pentachlorophenol SCHEMBL9860959 | 0.85 | TSHR (0.48) | TSHRHPGDHSD17B10ALDH1A1LMNA | |
| Cetostearyl Alcohol SCHEMBL5471038 | 0.83 | TSHR (0.59) | TSHRHPGDHSD17B10ALDH1A1LMNA | |
| Pentachlorophenol SCHEMBL10336353 | 0.81 | TSHR (0.67) | TSHRHPGDHSD17B10ALDH1A1LMNA | |
| Pentachlorophenol SCHEMBL18525333 | 0.81 | TSHR (0.67) | TSHRHPGDHSD17B10ALDH1A1LMNA | |
| Dodecylamine SCHEMBL9501198 | 0.81 | DNM1 (0.56) | TSHRHPGDHSD17B10ALDH1A1LMNA | |
| Pentachlorophenol SCHEMBL9854473 | 0.81 | DNM1 (0.56) | TSHRHPGDHSD17B10ALDH1A1LMNA | |
| Pentachlorophenol SCHEMBL27689241 | 0.80 | TSHR (0.56) | TSHRHPGDHSD17B10ALDH1A1LMNA | |
| Pentachlorophenol SCHEMBL7922521 | 0.79 | TSHR (0.62) | TSHRHPGDHSD17B10ALDH1A1LMNA | |
| Pentachlorophenol SCHEMBL28030118 | 0.77 | HSD17B10 (0.83) | TSHRHPGDHSD17B10ALDH1A1LMNA |
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-2021055272-A1 | CHROMIUM-CATALYZED PRODUCTION OF DIOLS FROM OLEFINS | CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) | 2021-03-25 | — | — | WO | disclosed |