Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | HTR2A | P28223 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | HRH1 | P35367 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | THPO | P40225 | 1/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11112685 | 0.98 | KDM4E (0.41) | KDM4EHTR2ALMNATP53CHRM2 | |
| SCHEMBL9834139 | 0.85 | CYP2D6 (0.48) | KDM4EHTR2ALMNATP53CHRM2 | |
| SCHEMBL11115087 | 0.77 | KDM4E (0.37) | KDM4EHTR2ALMNATP53CHRM2 | |
| SCHEMBL5677282 | 0.68 | HTR2A (0.48) | KDM4EHTR2ALMNATP53CHRM2 | |
| SCHEMBL6998428 | 0.64 | KMT2A (0.50) | HTR2ALMNAMEN1KMT2A | |
| Hydrochloric Acid SCHEMBL3895431 | 0.62 | KMT2A (0.48) | HTR2ALMNAMEN1KMT2A | |
| SCHEMBL20061785 | 0.62 | L3MBTL1 (0.38) | KDM4ELMNATP53CYP3A4CYP2D6 | |
| SCHEMBL27860470 | 0.62 | BRD4 (0.33) | — | |
| SCHEMBL14725544 | 0.62 | CYP11B2 (0.38) | CYP11B1CYP11B2CYP19A1 | |
| SCHEMBL27683847 | 0.62 | KDM4E (0.42) | KDM4EHTR2ALMNATP53CHRM2 |
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-0002512-B1 | IMINO-BRIDGED BENZOCYCLOHEPTAPYRIDINES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITION THEREOF | MERCK & CO. INC. (US) | 1984-02-22 | — | — | EP | disclosed |
| US-4229455-A | MUSCLE RELAXANTS, TRANQUILIZERS | MERCK & CO., INC. (US) | 1980-10-21 | — | — | US | disclosed |