Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | USP2 | O75604 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.36 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29452111 | 0.81 | ALDH1A1 (0.60) | L3MBTL1KDM4EALDH1A1USP2HTT | |
| SCHEMBL12327903 | 0.79 | SGK1 (0.41) | KDM4EALDH1A1HTTKCNJ1KCNH2 | |
| SCHEMBL10164103 | 0.79 | RAD51 (0.45) | ALDH1A1HTTKCNJ1KCNH2NR1H2 | |
| SCHEMBL12560129 | 0.78 | VCAM1 (0.46) | ALDH1A1HTTMEN1KMT2ASLC22A12 | |
| SCHEMBL21013691 | 0.78 | ALDH1A1 (0.40) | ALDH1A1HTTKCNJ1KCNH2NR1H2 | |
| SCHEMBL1271815 | 0.78 | EPAS1 (0.42) | ALDH1A1HTTKCNJ1KCNH2MEN1 | |
| SCHEMBL17505017 | 0.78 | MAOB (0.40) | KDM4EALDH1A1USP2HTTLMNA | |
| SCHEMBL15545328 | 0.77 | ALDH1A1 (0.41) | KDM4EALDH1A1USP2LMNAHPGD | |
| SCHEMBL19742421 | 0.75 | KDM4E (0.46) | L3MBTL1KDM4EALDH1A1USP2LMNA | |
| SCHEMBL9175606 | 0.74 | L3MBTL1 (0.61) | L3MBTL1KDM4EALDH1A1USP2LMNA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2970252-B1 | SUBSTITUTED 2-AZA-BICYCLO[2.2.2]OCTANE-3-CARBOXYLIC ACID (BENZYL-CYANO-METHYL)-AMIDES INHIBITORS OF CATHEPSIN C | BOEHRINGER INGELHEIM INT (DE) | 2020-06-03 | — | — | EP | disclosed |