Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | ACACB | O00763 | 1/20 | 0.34 |
| ▸ | ACACA | Q13085 | 1/20 | 0.34 |
| ▸ | TYMP | P19971 | 1/20 | 0.34 |
| ▸ | GPR119 | Q8TDV5 | 4/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | FAAH | O00519 | 1/20 | 0.33 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1133757 | 0.89 | NR1H2 (0.43) | NR1H2ALDH1A1KMT2AGPR119KDM4E | |
| SCHEMBL5258386 | 0.84 | NCF1 (0.40) | NR1H2ALDH1A1KMT2AACACBACACA | |
| SCHEMBL3645886 | 0.81 | KDM4E (0.32) | NR1H2ALDH1A1KMT2AGPR119KDM4E | |
| SCHEMBL212033 | 0.80 | CHRM2 (0.42) | GPR119KDM4EHPGD | |
| SCHEMBL4434089 | 0.79 | HPGD (0.39) | KMT2AHPGD | |
| SCHEMBL3956896 | 0.78 | NCF1 (0.34) | NR1H2ALDH1A1KMT2AACACBACACA | |
| SCHEMBL1935995 | 0.78 | CHRM2 (0.34) | GPR119KDM4EHPGD | |
| SCHEMBL14686083 | 0.78 | SIRT2 (0.36) | ALDH1A1KMT2AGPR119KDM4EPKM | |
| SCHEMBL7294008 | 0.77 | NR1H2 (0.42) | NR1H2ALDH1A1KMT2ATYMP | |
| SCHEMBL2373613 | 0.77 | HPGD (0.41) | ALDH1A1KMT2AHPGD |
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 |
|---|---|---|---|---|---|---|---|
| EP-2753615-B1 | BENZONITRILE DERIVATIVES AS KINASE INHIBITORS | MERCK PATENT GMBH (DE) | 2017-07-19 | — | — | EP | disclosed |
| WO-2013034238-A1 | BENZONITRILE DERIVATIVES AS KINASE INHIBITORS | MERCK PATENT GMBH (DE) | 2013-03-14 | — | — | WO | disclosed |
| EP-1051413-B1 | QUINOLINE DERIVATIVES AS ANTIBACTERIALS | SMITHKLINE BEECHAM PLC (GB) | 2003-06-04 | — | — | EP | disclosed |
| EP-1051413-A1 | QUINOLINE DERIVATIVES AS ANTIBACTERIALS | SMITHKLINE BEECHAM PLC (GB) | 2000-11-15 | — | — | EP | disclosed |
| WO-1999037635-A1 | QUINOLINE DERIVATIVES AS ANTIBACTERIALS | SMITHKLINE BEECHAM PLC (GB) | 1999-07-29 | — | — | WO | disclosed |