Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTNNB1 | P35222 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | ACP3 | P15309 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | ADRB2 | P07550 | 4/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL15750884 | 0.86 | CTNNB1 (0.57) | CTNNB1CYP1A2CYP2C19CYP2C9TDP1 | |
| SCHEMBL9252340 | 0.85 | CYP1A2 (0.52) | CTNNB1CYP1A2CYP2C19CYP2C9TDP1 | |
| SCHEMBL18243140 | 0.83 | CTNNB1 (0.54) | CTNNB1CYP1A2CYP2C19CYP2C9TDP1 | |
| SCHEMBL12532092 | 0.82 | CTNNB1 (0.53) | CTNNB1CYP1A2CYP2C19CYP2C9TDP1 | |
| SCHEMBL11674881 | 0.82 | CYP1A2 (0.50) | CTNNB1CYP1A2CYP2C19CYP2C9TDP1 | |
| SCHEMBL6445099 | 0.82 | CTNNB1 (0.53) | CTNNB1CYP1A2CYP2C19CYP2C9TDP1 | |
| SCHEMBL1041345 | 0.82 | CTNNB1 (0.53) | CTNNB1CYP1A2CYP2C19CYP2C9TDP1 | |
| SCHEMBL10355407 | 0.82 | CTNNB1 (0.53) | CTNNB1CYP1A2CYP2C19CYP2C9TDP1 | |
| SCHEMBL7402726 | 0.82 | CTNNB1 (0.53) | CTNNB1CYP1A2CYP2C19CYP2C9TDP1 | |
| SCHEMBL6684873 | 0.80 | CTNNB1 (0.47) | CTNNB1CYP1A2CYP2C19CYP2C9TDP1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6288261-B1 | DRUGS FOR INHIBITION OF ENZYMES | ABBOTT LABORATORIES | 2001-09-11 | — | — | US | disclosed |
| WO-2000037433-A1 | INHIBITORS OF MATRIX METALLOPROTEINASES | ABBOTT LABORATORIES (US) | 2000-06-29 | — | — | WO | disclosed |
| EP-0292840-B1 | Cyclic amine derivatives, medicaments containing these compounds and procedure for their preparation | THOMAE GMBH DR K (DE) | 1995-08-09 | — | — | EP | disclosed |
| US-5175157-A | Cardiovascular disorders | BOEHRINGER INGELHEIM GMBH (DE) | 1992-12-29 | — | — | US | disclosed |
| EP-0292840-A2 | Cyclic amine derivatives, medicaments containing these compounds and procedure for their preparation | Dr. Karl Thomae GmbH (DE) | 1988-11-30 | — | — | EP | disclosed |