Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | ACHE | P22303 | 1/20 | 0.56 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.41 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ACP3 | P15309 | 1/20 | 0.41 |
| ▸ | SCN4A | P35499 | 5/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.39 |
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 SCHEMBL9035997 | 1.00 | TSHR (0.56) | TSHRACHETAAR1LMNAADRA2A | |
| Isopropylbenzene SCHEMBL87809 | 0.88 | TAAR1 (0.50) | TSHRTAAR1LMNAADRA2AADRA2C | |
| Isopropylbenzene SCHEMBL3672803 | 0.88 | TAAR1 (0.50) | TSHRTAAR1LMNAADRA2AADRA2C | |
| Isopropylbenzene SCHEMBL6568 | 0.88 | — | — | |
| Isopropylbenzene SCHEMBL11254813 | 0.88 | — | — | |
| Isopropylbenzene SCHEMBL8431863 | 0.88 | TAAR1 (0.50) | TSHRTAAR1LMNAADRA2AADRA2C | |
| Isopropylbenzene SCHEMBL25225703 | 0.85 | ACP3 (0.48) | TSHRACHELMNAADRA2AADRA2C | |
| Isopropylbenzene SCHEMBL4795494 | 0.85 | ADRA2C (0.52) | TSHRTAAR1LMNAADRA2AADRA2C | |
| Isopropylbenzene SCHEMBL9725943 | 0.85 | TAAR1 (0.48) | TSHRTAAR1LMNAADRA2AADRA2C | |
| Isopropylbenzene SCHEMBL9352133 | 0.85 | TAAR1 (0.48) | TSHRTAAR1LMNAADRA2AADRA2C |
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 |
|---|---|---|---|---|---|---|---|
| US-5939594-A | Superalkalinized isomerized linear alkylaryl sulfonates of alkaline earth metals, useful as detergent/dispersant additives for lubricating oils, and processes for their preparation and intermediate alkylaryl hydrocarbon | CHEVRON CHEMICAL S.A. (FR) | 1999-08-17 | — | — | US | disclosed |