Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 3/20 | 0.54 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.54 |
| ▸ | LMNA | P02545 | 4/20 | 0.50 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.50 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | FAAH | O00519 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.50 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.50 |
| ▸ | HTR2C | P28335 | 1/20 | 0.50 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.50 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.50 |
| ▸ | HTR2B | P41595 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| Isopropylbenzene SCHEMBL10455239 | 1.00 | GABRA1 (0.54) | GABRA1GABRB2LMNAGABRG2GABRB3 | |
| Isopropylbenzene SCHEMBL7041365 | 0.97 | GABRA1 (0.50) | GABRA1GABRB2LMNAGABRG2GABRB3 | |
| Hydrogen Peroxide SCHEMBL11221504 | 0.95 | GABRA1 (0.54) | GABRA1GABRB2LMNAGABRG2GABRB3 | |
| SCHEMBL10593204 | 0.89 | GABRA1 (0.52) | GABRA1GABRB2LMNAGABRG2GABRB3 | |
| Isopropylbenzene SCHEMBL23421101 | 0.89 | ADRA2C (0.52) | LMNAHIF1ACYP3A4TSHRADRA2C | |
| Isopropylbenzene SCHEMBL4795494 | 0.89 | ADRA2C (0.52) | LMNAHIF1ACYP3A4TSHRADRA2C | |
| Isopropylbenzene SCHEMBL18614726 | 0.89 | ADRA2C (0.52) | LMNAHIF1ACYP3A4TSHRADRA2C | |
| Isopropylbenzene SCHEMBL16627 | 0.89 | ADRA2C (0.52) | LMNAHIF1ACYP3A4TSHRADRA2C | |
| Isopropylbenzene SCHEMBL30804544 | 0.89 | ADRA2C (0.52) | LMNAHIF1ACYP3A4TSHRADRA2C | |
| Isopropylbenzene SCHEMBL6320513 | 0.89 | ADRA2C (0.52) | LMNAHIF1ACYP3A4TSHRADRA2C |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4717756-A | HYDROPEROXIDE INITIATOR, SULFUR REDUCTANT, HYDROGEN HALOGENIDE SALT, COPPER COMPOUND | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1988-01-05 | — | — | US | claimed |
| EP-0155765-A1 | Method for racemization of chrysanthemic acid or its ester | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1985-09-25 | — | — | EP | disclosed |