Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 3/20 | 0.60 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.43 |
| ▸ | NCEH1 | Q6PIU2 | 2/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | BACE1 | P56817 | 1/20 | 0.40 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9765531 | 0.90 | AKR1B1 (0.57) | AKR1B1GAACYP1A2CYP2D6CYP2C19 | |
| SCHEMBL599171 | 0.90 | ALDH1A1 (0.50) | AKR1B1MEN1POLBGAAKMT2A | |
| SCHEMBL9765522 | 0.86 | AKR1B1 (0.64) | AKR1B1GAAATMCYP1A2CYP2A6 | |
| SCHEMBL11704584 | 0.83 | AKR1B1 (0.65) | AKR1B1GAACYP1A2MAPK14CYP2D6 | |
| SCHEMBL28499910 | 0.81 | CYP1A2 (0.53) | MEN1POLBGAAKMT2AATM | |
| SCHEMBL19583381 | 0.80 | CYP1A2 (0.56) | MEN1POLBGAAKMT2AATM | |
| SCHEMBL11690948 | 0.80 | AKR1B1 (0.73) | AKR1B1CYP1A2CYP2D6CYP2C19CYP3A4 | |
| SCHEMBL22288362 | 0.79 | CYP1A2 (0.51) | AKR1B1CYP1A2CYP2A6CYP2D6CYP2C19 | |
| SCHEMBL11711988 | 0.79 | AKR1B1 (0.64) | AKR1B1CYP1A2CYP2A6MAPK14CYP2D6 | |
| SCHEMBL11706167 | 0.79 | AKR1B1 (0.56) | AKR1B1GAACYP1A2MAPK14CYP2D6 |
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 |