Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.57 |
| ▸ | BCHE | P06276 | 1/20 | 0.57 |
| ▸ | MAOA | P21397 | 4/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.48 |
| ▸ | HPGD | P15428 | 3/20 | 0.48 |
| ▸ | TDP2 | O95551 | 1/20 | 0.42 |
| ▸ | CASP3 | P42574 | 1/20 | 0.42 |
| ▸ | CASP7 | P55210 | 1/20 | 0.42 |
| ▸ | CASP9 | P55211 | 1/20 | 0.42 |
| ▸ | CASP6 | P55212 | 1/20 | 0.42 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.42 |
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 4/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | BLM | P54132 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 3/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9915574 | 0.87 | CES1 (0.61) | CES1BCHEMAOAALDH1A1KDM4E | |
| SCHEMBL11182520 | 0.83 | TDP1 (0.47) | CES1BCHEMAOAALDH1A1KDM4E | |
| SCHEMBL11143500 | 0.83 | CYP1A2 (0.61) | CES1BCHEMAOAALDH1A1KDM4E | |
| SCHEMBL29848510 | 0.82 | CES1 (0.67) | CES1BCHEMAOAALDH1A1KDM4E | |
| SCHEMBL976344 | 0.82 | CES1 (0.67) | CES1BCHEMAOAALDH1A1KDM4E | |
| SCHEMBL32671773 | 0.82 | CES1 (0.67) | CES1BCHEMAOAALDH1A1KDM4E | |
| SCHEMBL29684343 | 0.82 | CES1 (0.67) | CES1BCHEMAOAALDH1A1KDM4E | |
| SCHEMBL569873 | 0.82 | — | — | |
| SCHEMBL31070117 | 0.82 | — | — | |
| SCHEMBL8035811 | 0.82 | CES1 (0.73) | CES1BCHEMAOAALDH1A1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| US-4399141-A | 5-Alkyl or hydroxyalkyl substituted-10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5,10-imines and anticonvulsant use thereof | MERCK & CO., INC. (US) | 1983-08-16 | — | — | US | disclosed |