Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.54 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.54 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.52 |
| ▸ | PARP15 | Q460N3 | 4/20 | 0.50 |
| ▸ | PARP10 | Q53GL7 | 4/20 | 0.50 |
| ▸ | PARP2 | Q9UGN5 | 2/20 | 0.50 |
| ▸ | ESR1 | P03372 | 1/20 | 0.43 |
| ▸ | ACACB | O00763 | 2/20 | 0.43 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | CHEK2 | O96017 | 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 | |
|---|---|---|---|---|
| SCHEMBL9291783 | 1.00 | HRH3 (0.54) | HRH3CYP3A4CYP2C9KCNH2ESR2 | |
| SCHEMBL9291787 | 1.00 | HRH3 (0.54) | HRH3CYP3A4CYP2C9KCNH2ESR2 | |
| SCHEMBL18721888 | 0.92 | HRH3 (0.57) | HRH3CYP3A4CYP2C9KCNH2ESR2 | |
| SCHEMBL9291738 | 0.88 | HRH3 (0.49) | HRH3CYP3A4CYP2C9KCNH2ESR2 | |
| SCHEMBL9291744 | 0.88 | HRH3 (0.49) | HRH3CYP3A4CYP2C9KCNH2ESR2 | |
| SCHEMBL14817251 | 0.82 | PARP15 (0.53) | ESR2PARP15PARP10PARP2TDP1 | |
| SCHEMBL14535130 | 0.82 | HRH3 (0.56) | HRH3CYP3A4CYP2C9KCNH2ESR2 | |
| SCHEMBL21509224 | 0.81 | CNR2 (0.50) | ESR2PARP15PARP10PARP2 | |
| SCHEMBL11838572 | 0.81 | HRH3 (0.55) | HRH3CYP3A4CYP2C9KCNH2ESR2 | |
| SCHEMBL16141973 | 0.81 | PARP15 (0.51) | PARP15PARP10PARP2TDP1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5244597-A | Liquid crystalline mixtures having a chiral tilted smectic phase | HOFFMANN-LA ROCHE INC. (US) | 1993-09-14 | — | — | US | disclosed |
| EP-0343487-A1 | Cyclohexyl esters of alpha-fluoro/carboxylic acids | F. HOFFMANN-LA ROCHE AG (CH) | 1989-11-29 | — | — | EP | disclosed |