Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | RECQL | P46063 | 1/20 | 0.47 |
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL20415259 | 0.78 | OPRK1 (0.46) | CES2CES1SMN1; SMN2ALDH1A1KMT2A | |
| SCHEMBL29073232 | 0.78 | CES2 (0.55) | CES2CES1SMN1; SMN2ALDH1A1KMT2A | |
| SCHEMBL20415346 | 0.77 | NTSR1 (0.45) | CES2CES1ALDH1A1KMT2AMEN1 | |
| SCHEMBL20415230 | 0.76 | CES2 (0.53) | CES2CES1SMN1; SMN2ALDH1A1KMT2A | |
| SCHEMBL20415250 | 0.75 | SMN1; SMN2 (0.47) | SMN1; SMN2ALDH1A1KMT2ANPC1TDP1 | |
| SCHEMBL20415341 | 0.75 | OPRK1 (0.48) | CES2CES1SMN1; SMN2ALDH1A1TDP1 | |
| SCHEMBL20415256 | 0.73 | EGFR (0.49) | CES2CES1SMN1; SMN2ALDH1A1KMT2A | |
| SCHEMBL5824232 | 0.72 | POLB (0.59) | CA12CA9SMN1; SMN2ALDH1A1KMT2A | |
| SCHEMBL26665153 | 0.71 | CES2 (0.57) | CES2CES1SMN1; SMN2ALDH1A1KMT2A | |
| SCHEMBL29293530 | 0.70 | ALDH1A1 (0.46) | CES2CES1SMN1; SMN2ALDH1A1KMT2A |
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-0045520-B1 | PYRIMIDO-(4,5-D)(2)-BENZAZEPINES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1984-06-20 | — | — | EP | disclosed |