Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.67 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.43 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.43 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.39 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | APEX1 | P27695 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2565166 | 0.84 | CYP2A6 (0.78) | CYP2A6PAX8CYP1A2HPRT1ALDH1A1 | |
| SCHEMBL9209062 | 0.82 | CYP2A6 (0.61) | CYP2A6PAX8CYP1A2HPRT1AKR1B1 | |
| SCHEMBL449348 | 0.81 | CYP2A6 (1.00) | CYP2A6PAX8CYP1A2HPRT1ALDH1A1 | |
| Ammonia Solution, Strong SCHEMBL11476794 | 0.79 | CYP2A6 (0.95) | CYP2A6PAX8CYP1A2HPRT1ALDH1A1 | |
| SCHEMBL9644939 | 0.79 | HPRT1 (0.70) | CYP2A6PAX8CYP1A2HPRT1AKR1B1 | |
| SCHEMBL29391827 | 0.78 | ALDH1A1 (0.65) | CYP2A6PAX8CYP1A2HPRT1AKR1B1 | |
| SCHEMBL268735 | 0.78 | ALDH1A1 (0.65) | CYP2A6PAX8CYP1A2HPRT1AKR1B1 | |
| SCHEMBL30186719 | 0.78 | ALDH1A1 (0.65) | CYP2A6PAX8CYP1A2HPRT1AKR1B1 | |
| SCHEMBL9765508 | 0.77 | CYP2A6 (0.50) | CYP2A6PAX8CYP1A2HPRT1AKR1B1 | |
| Bicarbonate SCHEMBL29056749 | 0.76 | CYP2A6 (0.79) | CYP2A6PAX8CYP1A2ALDH1A1TSHR |
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-0272621-B1 | Method for the production of 5H-dibenzo[a,d]cyclohepten-5-ones | BASF Aktiengesellschaft (DE) | 1991-11-27 | — | — | EP | disclosed |
| US-4845302-A | Preparation of 5H-dibenzo[a,d]cyclohepten-5-ones | BASF AKTIENGSELLSCHAFT (DE) | 1989-07-04 | — | — | US | disclosed |
| EP-0272621-A2 | Method for the production of 5H-dibenzo[a,d]cyclohepten-5-ones | BASF Aktiengesellschaft (DE) | 1988-06-29 | — | — | EP | disclosed |