Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 4/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 6/20 | 0.40 |
| ▸ | PDK2 | Q15119 | 4/20 | 0.40 |
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 3/20 | 0.34 |
| ▸ | HTR2C | P28335 | 3/20 | 0.34 |
| ▸ | DRD2 | P14416 | 2/20 | 0.34 |
| ▸ | HTR2B | P41595 | 2/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.34 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.34 |
| ▸ | DRD1 | P21728 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL9509084 | 0.90 | SIGMAR1 (0.48) | KDM1ASIGMAR1PDK2MAP3K14SLC6A4 | |
| SCHEMBL9509061 | 0.84 | SIGMAR1 (0.46) | KDM1ASIGMAR1PDK2HTR2AHTR2C | |
| SCHEMBL9511025 | 0.83 | KIF11 (0.40) | KDM1ASIGMAR1PDK2HTR2AHTR2C | |
| SCHEMBL9509760 | 0.83 | KDM1A (0.42) | KDM1ASIGMAR1HTR2AHTR2CDRD2 | |
| SCHEMBL9509089 | 0.82 | PDK2 (0.40) | KDM1ASIGMAR1PDK2AKR1B1 | |
| SCHEMBL9508316 | 0.79 | SIGMAR1 (0.50) | KDM1ASIGMAR1PDK2DRD2DRD1 | |
| SCHEMBL24275635 | 0.75 | KDM1A (0.50) | KDM1ASIGMAR1PDK2HTR2AHTR2C | |
| SCHEMBL9509096 | 0.74 | KDM1A (0.49) | KDM1APDK2 | |
| SCHEMBL9509759 | 0.73 | KDM1A (0.40) | KDM1ASIGMAR1PDK2HTR2AHTR2C | |
| SCHEMBL24275641 | 0.71 | KDM1A (0.56) | KDM1ASIGMAR1PDK2HTR2AHTR2C |
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-0414686-B1 | DERIVATIVES OF TRIFLUOROMETHYL-1-TETRALINES, PREPARATION AND APPLICATION THEREOF FOR THE SYNTHESIS OF COMPOUNDS HAVING THERAPEUTIC PROPERTIES | LABORATOIRES LUCIEN (FR) | 1993-09-22 | — | — | EP | claimed |