Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 6/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.34 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.34 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.33 |
| ▸ | DRD1 | P21728 | 1/20 | 0.33 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11075263 | 0.81 | RIPK1 (0.48) | TRPA1TAAR1RIPK1 | |
| SCHEMBL5696505 | 0.75 | TRPA1 (0.55) | TRPA1LMNATAAR1RIPK1ADRA2A | |
| SCHEMBL6284810 | 0.72 | AOC3 (0.44) | TRPA1LMNATAAR1RIPK1ADRA2A | |
| SCHEMBL8067118 | 0.71 | TAAR1 (0.40) | TRPA1LMNATAAR1RIPK1ADRA2A | |
| SCHEMBL548337 | 0.70 | TRPA1 (0.54) | TRPA1LMNATAAR1ADRA2AADRA2C | |
| SCHEMBL17592400 | 0.69 | ACP3 (0.46) | SLC6A2SLC6A4SLC6A3KCNH2CYP1A2 | |
| SCHEMBL8101515 | 0.69 | POLB (0.47) | LMNATAAR1RIPK1KDM4EOPRM1 | |
| SCHEMBL17942921 | 0.68 | HTR2A (0.64) | LMNATAAR1ADRA2AKDM4ECHRM2 | |
| SCHEMBL8095531 | 0.68 | ALDH1A1 (0.43) | KDM4EOPRM1 | |
| SCHEMBL6053435 | 0.68 | TAAR1 (0.38) | TRPA1LMNATAAR1RIPK1ADRA2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-1734948-B1 | TRI-SUBSTITUED 2-BENZHYDRYL-5-BENZYLAMINO-TETRAHYDRO-PYRAN-4-OL AND 6-BENZHYDRYL-4-BENZYLAMINO-TETRAHYDRO-PYRAN-3-OL ANALOGUES, AND NOVEL 3,6-DISUBSTITUTED PYRAN DERIVATIVES | UNIV WAYNE STATE (US) | 2014-06-11 | — | — | EP | disclosed |