Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.44 |
| ▸ | HTR2A | P28223 | 3/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.44 |
| ▸ | HTR1A | P08908 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
| ▸ | APLNR | P35414 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | GPR139 | Q6DWJ6 | 1/20 | 0.40 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL27304684 | 0.89 | ESR1 (0.46) | CYP2D6SLC6A4HTR2AKCNH2HTR1A | |
| SCHEMBL24252802 | 0.85 | CYP2D6 (0.51) | CYP2D6SLC6A4HTR2AKCNH2HTR1A | |
| SCHEMBL30452001 | 0.85 | CYP2D6 (0.51) | CYP2D6SLC6A4HTR2AKCNH2HTR1A | |
| SCHEMBL5753110 | 0.85 | ALDH1A1 (0.54) | SLC6A4HTR2AKCNH2HTR1AKDM4E | |
| SCHEMBL9921242 | 0.83 | SLC6A4 (0.45) | SLC6A4HTR2AKCNH2HTR1AALDH1A1 | |
| SCHEMBL473994 | 0.83 | SLC6A4 (0.45) | SLC6A4HTR2AKCNH2HTR1AKDM4E | |
| SCHEMBL10506599 | 0.81 | TAAR1 (0.61) | SLC6A4HTR2AKCNH2HTR1AMEN1 | |
| SCHEMBL30557833 | 0.81 | TAAR1 (0.61) | SLC6A4HTR2AKCNH2HTR1AMEN1 | |
| SCHEMBL28034769 | 0.81 | POLB (0.54) | SLC6A4HTR2AKCNH2HTR1AKDM4E | |
| SCHEMBL10814111 | 0.80 | CYP2D6 (0.50) | CYP2D6KDM4EALDH1A1POLBESR1 |
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-2411365-A1 | 2,3-DIARYL- OR HETEROARYL-SUBSTITUTED 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS | F. Hoffmann-La Roche AG (CH) | 2012-02-01 | — | — | EP | disclosed |
| WO-2010108903-A1 | 2,3-DIARYL- OR HETEROARYL-SUBSTITUTED 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-09-30 | — | — | WO | disclosed |