Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 3/20 | 0.46 |
| ▸ | CES1 | P23141 | 3/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | GSK3B | P49841 | 3/20 | 0.41 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL11324996 | 0.82 | SLC6A3 (0.40) | CA1CA2ALDH1A1NPC1GSK3B | |
| SCHEMBL740918 | 0.82 | TDP1 (0.47) | CES2CES1TSHRCA1CA2 | |
| SCHEMBL6831516 | 0.82 | CA1 (0.50) | CES2CES1ALOX15TSHRCA1 | |
| SCHEMBL25342452 | 0.78 | CES2 (0.45) | CES2CES1ALOX15TSHRCA1 | |
| SCHEMBL1143569 | 0.78 | CES2 (0.45) | CES2CES1ALOX15TSHRCA1 | |
| SCHEMBL29022297 | 0.77 | ALDH1A1 (0.53) | CES2CES1TSHRCA1CA2 | |
| SCHEMBL6851984 | 0.76 | PDPK1 (0.59) | CES2CES1ALOX15TSHRCA1 | |
| SCHEMBL30737578 | 0.76 | TRPA1 (0.44) | CES2CES1ALOX15TSHRCA1 | |
| SCHEMBL9860507 | 0.75 | KCNQ3 (0.41) | CES2CES1GAARAPGEF3 | |
| SCHEMBL30737544 | 0.74 | RAPGEF3 (0.44) | CES2CES1ALOX15TSHRCA1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4990646-A | Preparation of halogenated quinolonecarboxylic acids | BAYER AKTIENGESELLSCHAFT (DE) | 1991-02-05 | — | — | US | disclosed |
| US-4914228-A | Preparation of halogenated quinolonecarboxylic acids | BAYER AKTIENGESELLSCHAFT (DE) | 1990-04-03 | — | — | US | disclosed |
| US-4782156-A | Nitriles of halogenated quinolonecarboxylic acids | BAYER AKTIENGESELLSCHAFT (DE) | 1988-11-01 | — | — | US | disclosed |
| US-4680401-A | Preparation of halogenated quinolonecarboxylic acids | BAYER AKTIENGESELLSCHAFT (DE) | 1987-07-14 | — | — | US | disclosed |