Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 4/20 | 0.60 |
| ▸ | TP53 | P04637 | 3/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.60 |
| ▸ | TSHR | P16473 | 2/20 | 0.60 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.60 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.60 |
| ▸ | CASP1 | P29466 | 1/20 | 0.60 |
| ▸ | RECQL | P46063 | 1/20 | 0.60 |
| ▸ | SLC8B1 | Q6J4K2 | 1/20 | 0.60 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | AHR | P35869 | 1/20 | 0.37 |
| ▸ | CACNB4 | O00305 | 1/20 | 0.36 |
| ▸ | CACNA1A | O00555 | 1/20 | 0.36 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL10929981 | 0.88 | MAPT (0.77) | MAPTTP53CYP1A2CYP2C19TSHR | |
| SCHEMBL10930085 | 0.79 | LMNA (0.51) | MAPTTP53CYP1A2CYP2C19TSHR | |
| SCHEMBL11090465 | 0.75 | MAPT (0.45) | MAPTTP53CYP1A2CYP2C19TSHR | |
| SCHEMBL869274 | 0.75 | TP53 (1.00) | MAPTTP53CYP1A2CYP2C19TSHR | |
| SCHEMBL31071906 | 0.75 | TP53 (1.00) | MAPTTP53CYP1A2CYP2C19TSHR | |
| SCHEMBL10044117 | 0.74 | TP53 (0.79) | MAPTTP53CYP1A2CYP2C19TSHR | |
| SCHEMBL10929004 | 0.73 | MAPT (0.56) | MAPTTP53CYP1A2CYP2C19TSHR | |
| SCHEMBL4590461 | 0.71 | CACNB4 (0.47) | MAPTTP53CYP1A2CYP2C19TSHR | |
| SCHEMBL27729051 | 0.70 | KDM1A (0.39) | CYP1A2CYP2C19LMNACYP3A4CYP2D6 | |
| SCHEMBL8117192 | 0.69 | MAPT (0.60) | MAPTTP53CYP1A2CYP2C19TSHR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0072029-B1 | TRIAZOLOBENZAZEPINES, PROCESS AND INTERMEDIATES FOR THEIR PREPARATION AND MEDICINES CONTAINING THEM | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1986-10-22 | — | — | EP | disclosed |
| US-4464300-A | PSYCHOTROPIC, ANXIOLYTIC AGENTS | HOFFMANN-LA ROCHE INC. (US) | 1984-08-07 | — | — | US | disclosed |
| EP-0072029-A2 | Triazolobenzazepines, process and intermediates for their preparation and medicines containing them | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1983-02-16 | — | — | EP | disclosed |