Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.50 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8447051 | 0.85 | SIGMAR1 (0.62) | CCR1SIGMAR1SLC6A4 | |
| SCHEMBL11338768 | 0.84 | SIGMAR1 (0.58) | LMNACYP2D6CYP1A2KDM4EALDH1A1 | |
| SCHEMBL2268114 | 0.84 | SIGMAR1 (0.58) | LMNACYP2D6CYP1A2KDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL7292331 | 0.84 | SIGMAR1 (0.60) | CCR1SIGMAR1 | |
| Hydrochloric Acid SCHEMBL8627527 | 0.83 | MEN1 (0.58) | LMNACYP2D6CYP1A2KDM4EALDH1A1 | |
| SCHEMBL10361884 | 0.81 | SLC6A2 (0.48) | KDM4ESIGMAR1SLC6A2HRH3 | |
| SCHEMBL10361581 | 0.81 | CHRM2 (0.46) | CYP2D6CYP19A1SIGMAR1SLC6A2SLC6A4 | |
| SCHEMBL1977577 | 0.80 | SLC6A2 (0.57) | LMNACYP2D6CYP19A1KDM4EALDH1A1 | |
| SCHEMBL10361883 | 0.80 | SCN5A (0.60) | LMNACYP2D6CYP1A2KDM4EALDH1A1 | |
| SCHEMBL9319743 | 0.76 | SIGMAR1 (0.70) | LMNACYP2D6CYP1A2KDM4EALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4918073-A | CALCIUM ANTAGONISTS | HOECHST AKTIENGESELLSCHAFT (DE) | 1990-04-17 | — | — | US | disclosed |
| EP-0229623-A2 | Diaryl-substituted alkylamines, procedure for their preparation, their application and medicaments containing them | HOECHST AKTIENGESELLSCHAFT (DE) | 1987-07-22 | — | — | EP | disclosed |