Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 5/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.55 |
| ▸ | AKR1B1 | P15121 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | LCK | P06239 | 1/20 | 0.41 |
| ▸ | FYN | P06241 | 1/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | AHR | P35869 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL597802 | 0.85 | CYP1A2 (0.63) | CYP2A6CYP1A2KMT2ATSHRMAPT | |
| SCHEMBL26194150 | 0.79 | TSHR (0.47) | CYP2A6CYP1A2AKR1B1KMT2ATSHR | |
| SCHEMBL9644313 | 0.76 | CYP2A6 (0.56) | CYP2A6CYP1A2AKR1B1KMT2AMAPT | |
| SCHEMBL4884877 | 0.73 | CYP1A2 (0.50) | CYP2A6CYP1A2KMT2AMAPTSMN1; SMN2 | |
| SCHEMBL9643984 | 0.73 | CYP2A6 (0.55) | CYP2A6CYP1A2AKR1B1KMT2ATSHR | |
| SCHEMBL598829 | 0.72 | CYP1A2 (1.00) | CYP2A6CYP1A2KMT2ATSHRALDH1A1 | |
| SCHEMBL29352143 | 0.72 | CYP1A2 (1.00) | CYP2A6CYP1A2KMT2ATSHRALDH1A1 | |
| SCHEMBL9765525 | 0.72 | AKR1B1 (0.49) | CYP2A6CYP1A2AKR1B1KMT2ATSHR | |
| SCHEMBL30186719 | 0.71 | ALDH1A1 (0.65) | CYP2A6CYP1A2AKR1B1TSHRMAPT | |
| SCHEMBL29391827 | 0.71 | ALDH1A1 (0.65) | CYP2A6CYP1A2AKR1B1TSHRMAPT |
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 |