Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | HTR2C | P28335 | 1/20 | 0.46 |
| ▸ | HTR2B | P41595 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | KDM1A | O60341 | 2/20 | 0.39 |
| ▸ | KDM1B | Q8NB78 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.38 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.38 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.38 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL434354 | 0.74 | OPRL1 (0.57) | HTR2AHTR2CHTR2BKDM1AKDM1B | |
| SCHEMBL16371648 | 0.74 | TP53 (0.41) | HTR2AHTR2CHTR2BTP53KDM1A | |
| SCHEMBL13698249 | 0.72 | KMT2A (0.49) | HTR2AHTR2CHTR2BTP53ACHE | |
| SCHEMBL360459 | 0.71 | TP53 (0.42) | HTR2AHTR2CHTR2BTP53OPRL1 | |
| SCHEMBL29595508 | 0.71 | HTR2A (0.49) | HTR2AHTR2CHTR2BKDM1AKDM1B | |
| SCHEMBL436724 | 0.71 | OPRL1 (0.58) | HTR2AHTR2CHTR2BTP53CHRNB2 | |
| SCHEMBL12303672 | 0.71 | HTR2A (0.49) | HTR2AHTR2CHTR2BKDM1AKDM1B | |
| SCHEMBL1121711 | 0.71 | HTR2A (0.49) | HTR2AHTR2CHTR2BKDM1AKDM1B | |
| SCHEMBL8121551 | 0.71 | CHRNB2 (0.46) | HTR2AHTR2CHTR2BKDM1AKDM1B | |
| SCHEMBL435077 | 0.71 | OPRL1 (0.54) | HTR2AHTR2CHTR2BTP53CHRNB2 |
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-0278346-A1 | 1-(2,4-Difluorophenyl)-1-(1-fluorocyclopropyl)-2-(1,2,4-triazol-1-yl)-ethan-1-ol | BAYER AG (DE) | 1988-08-17 | — | — | EP | disclosed |