Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 4/20 | 0.68 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.68 |
| ▸ | HRH1 | P35367 | 3/20 | 0.68 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.68 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.68 |
| ▸ | LMNA | P02545 | 2/20 | 0.68 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.68 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.68 |
| ▸ | TP53 | P04637 | 1/20 | 0.68 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.68 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.68 |
| ▸ | DRD2 | P14416 | 1/20 | 0.68 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.68 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.68 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.68 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.68 |
| ▸ | HTR2C | P28335 | 1/20 | 0.68 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.68 |
| ▸ | DRD3 | P35462 | 1/20 | 0.68 |
| ▸ | THPO | P40225 | 1/20 | 0.68 |
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 | |
|---|---|---|---|---|
| Oxalic Acid SCHEMBL11722352 | 0.94 | KDM4E (0.61) | HTR2AKDM4EHRH1SLC6A2SLC6A3 | |
| SCHEMBL11723305 | 0.87 | HTR2A (0.64) | HTR2AKDM4EHRH1SLC6A2SLC6A3 | |
| SCHEMBL11861374 | 0.85 | HTR2A (0.44) | HTR2AKDM4EHRH1SLC6A2SLC6A3 | |
| SCHEMBL11720154 | 0.83 | HTR2A (0.46) | HTR2AKDM4EHRH1SLC6A2SLC6A3 | |
| Protriptyline SCHEMBL29374478 | 0.83 | HTR2A (1.00) | HTR2AKDM4EHRH1SLC6A2SLC6A3 | |
| Protriptyline SCHEMBL34267 | 0.83 | HTR2A (1.00) | HTR2AKDM4EHRH1SLC6A2SLC6A3 | |
| Protriptyline SCHEMBL119341 | 0.81 | KDM4E (1.00) | HTR2AKDM4EHRH1SLC6A2SLC6A3 | |
| Protriptyline SCHEMBL28105308 | 0.81 | HTR2A (0.97) | HTR2AKDM4EHRH1SLC6A2SLC6A3 | |
| Protriptyline SCHEMBL5496303 | 0.81 | KDM4E (1.00) | HTR2AKDM4EHRH1SLC6A2SLC6A3 | |
| Protriptyline SCHEMBL2873533 | 0.81 | KDM4E (1.00) | HTR2AKDM4EHRH1SLC6A2SLC6A3 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-3981917-A | Chemical compounds | MERCK & CO., INC. (US) | 1976-09-21 | — | — | US | claimed |
| US-4048223-A | 3-Dimethylsulfamoyl-5-[amino(alkyl or alkylidene)]-5H-dibenzo [a,d]cycloheptenes | MERCK & CO., INC. (US) | 1977-09-13 | — | — | US | disclosed |
| US-3981917-A | Chemical compounds | MERCK & CO., INC. (US) | 1976-09-21 | — | — | US | disclosed |
| US-3978121-A | 5H Dibenzo[a,d]cycloheptene derivatives | MERCK & CO., INC. (US) | 1976-08-31 | — | — | US | disclosed |