Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | HTR2B | P41595 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | PNMT | P11086 | 1/20 | 0.33 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | DRD2 | P14416 | 4/20 | 0.30 |
| ▸ | DRD3 | P35462 | 4/20 | 0.30 |
| ▸ | DRD4 | P21917 | 3/20 | 0.30 |
| ▸ | NOS3 | P29474 | 1/20 | 0.30 |
| ▸ | NOS1 | P29475 | 1/20 | 0.30 |
| ▸ | NOS2 | P35228 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL18293058 | 0.81 | HTR2A (0.42) | HTR2AHTR2CHTR2BCA1CA2 | |
| SCHEMBL7914321 | 0.78 | CA1 (0.38) | HTR2CCA1CA2ALDH1A1RAB9A | |
| SCHEMBL631582 | 0.77 | RAB9A (0.33) | HTR2AHTR2CHTR2BOPRM1OPRD1 | |
| SCHEMBL10290678 | 0.77 | HTR2B (0.41) | HTR2AHTR2CHTR2BCA1CA2 | |
| SCHEMBL13262102 | 0.74 | HSD17B3 (0.35) | CA1CA2ALDH1A1RAB9ALMNA | |
| SCHEMBL27540648 | 0.73 | LMNA (0.33) | CA1CA2LMNASMN1; SMN2 | |
| SCHEMBL13509523 | 0.73 | HTR2A (0.45) | HTR2AHTR2CHTR2BCA1CA2 | |
| SCHEMBL12291661 | 0.73 | SIRT2 (0.37) | ALDH1A1KDM1ASMN1; SMN2 | |
| SCHEMBL24011655 | 0.72 | CYP19A1 (0.39) | RAB9AKDM1ALMNASMN1; SMN2 | |
| SCHEMBL13453317 | 0.71 | ALDH1A1 (0.50) | HTR2AHTR2CHTR2BALDH1A1NOS3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2210884-B1 | Process for production of 1-(3-(2-(1-benzothiophen-5-yl)-ethoxy)propionic acid or salts thereof | TOYAMA CHEMICAL CO LTD (JP) | 2012-02-22 | — | — | EP | disclosed |
| EP-1864978-A1 | PROCESS FOR PRODUCTION OF 1-(3-(2-(1-BENZOTHIOPHEN-5-YL)- ETHOXY)PROPYL)AZETIDIN-3-OL OR SALTS THEREOF | TOYAMA CHEMICAL CO., LTD. (JP) | 2007-12-12 | — | — | EP | disclosed |