Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.54 |
| ▸ | HSPA5 | P11021 | 1/20 | 0.50 |
| ▸ | MPO | P05164 | 6/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
| ▸ | MGLL | Q99685 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.44 |
| ▸ | HTR1A | P08908 | 1/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.44 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.43 |
| ▸ | IDO1 | P14902 | 2/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL11249042 | 0.84 | TAAR1 (0.37) | TAAR1TSHRSLC6A4IDO1 | |
| SCHEMBL11062256 | 0.82 | HSPA5 (0.35) | TAAR1HSPA5MPOCYP2D6TSHR | |
| SCHEMBL118255 | 0.78 | TAAR1 (0.54) | TAAR1HSPA5MPOCYP2D6TSHR | |
| SCHEMBL29706272 | 0.78 | TAAR1 (0.71) | TAAR1HSPA5MPOCYP2D6TSHR | |
| SCHEMBL1222973 | 0.78 | TAAR1 (0.71) | TAAR1HSPA5MPOCYP2D6TSHR | |
| SCHEMBL3989123 | 0.77 | HSPA5 (0.54) | TAAR1HSPA5MPOCYP2D6TSHR | |
| SCHEMBL11148270 | 0.77 | CYSLTR2 (0.35) | TAAR1SLC6A4IDO1 | |
| SCHEMBL8940085 | 0.77 | TAAR1 (0.52) | TAAR1HSPA5MPOCYP2D6TSHR | |
| SCHEMBL29706378 | 0.76 | TAAR1 (0.68) | TAAR1HSPA5MPOCYP2D6TSHR | |
| SCHEMBL9868130 | 0.76 | CA2 (0.36) | TAAR1HSPA5TSHRHIF1ACA12 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011101864-A1 | NOVEL PROCESS FOR THE SYNTHESIS OF PHENOXYETHYL DERIVATIVES | PANACEA BIOTEC LTD (IN) | 2011-08-25 | — | — | WO | disclosed |
| US-4476328-A | ALKYLATION OF PHENOL WITH TRIFLUOROPROPENE | KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) | 1984-10-09 | — | — | US | disclosed |
| US-4451674-A | Substituted benzene derivatives having at least one benzene ring substituted by 3,3,3-trifluoropropyl group and process for their production | KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) | 1984-05-29 | — | — | US | disclosed |