Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.63 |
| ▸ | ESR1 | P03372 | 1/20 | 0.45 |
| ▸ | ACP3 | P15309 | 1/20 | 0.43 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.41 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | RORC | P51449 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | PPARA | Q07869 | 1/20 | 0.38 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.38 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.38 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.38 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.38 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 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 | |
|---|---|---|---|---|
| SCHEMBL5357776 | 0.96 | TSHR (0.61) | TSHRESR1ACP3GABRA1GABRB2 | |
| SCHEMBL29654913 | 0.96 | TSHR (0.61) | TSHRESR1ACP3GABRA1GABRB2 | |
| SCHEMBL793225 | 0.96 | TSHR (0.61) | TSHRESR1ACP3GABRA1GABRB2 | |
| SCHEMBL5496564 | 0.96 | TSHR (0.61) | TSHRESR1ACP3GABRA1GABRB2 | |
| Phenol SCHEMBL28188481 | 0.92 | TSHR (0.60) | TSHRESR1ACP3GABRA1GABRB2 | |
| Hydrogen Peroxide SCHEMBL3675725 | 0.86 | TSHR (0.74) | TSHRGABRA1GABRB2TRPA1LMNA | |
| SCHEMBL994607 | 0.81 | TSHR (0.73) | TSHRGABRA1GABRB2TRPA1LMNA | |
| SCHEMBL593086 | 0.80 | ESR1 (0.46) | TSHRESR1ACP3GABRA1GABRB2 | |
| Benzene SCHEMBL1836843 | 0.80 | TSHR (0.95) | TSHRGABRA1GABRB2TRPA1LMNA | |
| SCHEMBL6547004 | 0.79 | ESR1 (0.50) | TSHRESR1ACP3LMNASLC22A2 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-3011057-A | — | — | None | — | — | JP | disclosed |
| JP-3011055-A | — | — | None | — | — | JP | disclosed |
| JP-3011056-A | — | — | None | — | — | JP | disclosed |
| WO-2014039653-A2 | OXIDATION OF HYDROCARBONS | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2014-03-13 | — | — | WO | disclosed |
| JP-H0311057-A | PRODUCTION OF SEC-BUTYLTOLUENE HYDROPEROXIDE | MITSUI PETROCHEM IND LTD | 1991-01-18 | — | — | JP | disclosed |
| JP-H0311055-A | PRODUCTION OF SEC-BUTYLTOLUENE HYDROPEROXIDE | MITSUI PETROCHEM IND LTD | 1991-01-18 | — | — | JP | disclosed |
| JP-H0311056-A | PRODUCTION OF SEC-BUTYLTOLUENE HYDROPEROXIDE | MITSUI PETROCHEM IND LTD | 1991-01-18 | — | — | JP | disclosed |