Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 5/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.61 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.47 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.44 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.43 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | TYMS | P04818 | 2/20 | 0.41 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL3710185 | 0.83 | CYP2A6 (0.73) | CYP2A6CYP1A2PAX8HPRT1CYP1B1 | |
| SCHEMBL476875 | 0.83 | CYP2A6 (0.73) | CYP2A6CYP1A2PAX8HPRT1CYP1B1 | |
| SCHEMBL9765602 | 0.82 | CYP2A6 (0.67) | CYP2A6CYP1A2PAX8HPRT1CA1 | |
| Hydrochloric Acid SCHEMBL8112381 | 0.81 | CYP2A6 (0.70) | CYP2A6CYP1A2PAX8HPRT1CYP1B1 | |
| SCHEMBL9644939 | 0.81 | HPRT1 (0.70) | CYP2A6CYP1A2PAX8HPRT1CA1 | |
| SCHEMBL5335748 | 0.80 | CYP1A2 (0.43) | CYP2A6CYP1A2CYP1A1CYP1B1NR4A2 | |
| SCHEMBL30186719 | 0.80 | ALDH1A1 (0.65) | CYP2A6CYP1A2PAX8HPRT1CA1 | |
| SCHEMBL268735 | 0.80 | ALDH1A1 (0.65) | CYP2A6CYP1A2PAX8HPRT1CA1 | |
| SCHEMBL29391827 | 0.80 | ALDH1A1 (0.65) | CYP2A6CYP1A2PAX8HPRT1CA1 | |
| SCHEMBL11723197 | 0.79 | ALDH1A1 (0.48) | CYP2A6CYP1A2PAX8CA1CA2 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0319073-B1 | Cyclo-octane neuroprotective agents | MERCK SHARP & DOHME (GB) | 1995-08-23 | — | — | EP | disclosed |
| EP-0272621-B1 | Method for the production of 5H-dibenzo[a,d]cyclohepten-5-ones | BASF Aktiengesellschaft (DE) | 1991-11-27 | — | — | EP | disclosed |
| US-4927819-A | ANTICONVULSANT, PREVENTION OF NEURODEGENERATIVE DISORDERS | MERCK SHARP & DOHME LIMITED (GB) | 1990-05-22 | — | — | US | disclosed |
| US-4845302-A | Preparation of 5H-dibenzo[a,d]cyclohepten-5-ones | BASF AKTIENGSELLSCHAFT (DE) | 1989-07-04 | — | — | US | disclosed |
| EP-0319073-A2 | Cyclo-octane neuroprotective agents | MERCK SHARP & DOHME LTD. (GB) | 1989-06-07 | — | — | EP | disclosed |
| EP-0272621-A2 | Method for the production of 5H-dibenzo[a,d]cyclohepten-5-ones | BASF Aktiengesellschaft (DE) | 1988-06-29 | — | — | EP | disclosed |
| EP-0115690-A1 | Dibenzocycloheptenylidenes | AMERICAN HOME PRODUCTS CORPORATION (US) | 1984-08-15 | — | — | EP | disclosed |
| US-4003915-A | ANTICONVULSANTS, PARKINSON*S DISEASE | HOFFMANN-LA ROCHE INC. (US) | 1977-01-18 | — | — | US | disclosed |