Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 1/20 | 0.34 |
| ▸ | CTSK | P43235 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.34 |
| ▸ | CES2 | O00748 | 1/20 | 0.34 |
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | APP | P05067 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | HPD | P32754 | 1/20 | 0.32 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 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 | |
|---|---|---|---|---|
| SCHEMBL8733222 | 0.84 | CES2 (0.49) | NPSR1CES2CES1MEN1LMNA | |
| SCHEMBL8731592 | 0.80 | CES2 (0.36) | NPSR1CES2CES1POLBMEN1 | |
| SCHEMBL8926667 | 0.79 | CES2 (0.39) | CES2CES1TSHRKDM4ESMN1; SMN2 | |
| SCHEMBL9414350 | 0.78 | APP (0.34) | POLBAPPMEN1KMT2A | |
| SCHEMBL28872705 | 0.74 | HSP90AB1 (0.40) | CES2CES1POLBMAPTTSHR | |
| SCHEMBL22163772 | 0.74 | LMNA (0.44) | NPSR1POLBLMNACYP1A2MAPT | |
| SCHEMBL8925622 | 0.74 | NPSR1 (0.41) | NPSR1CES2CES1POLBMEN1 | |
| SCHEMBL9416413 | 0.74 | CES2 (0.50) | NPSR1CES2CES1POLBMEN1 | |
| SCHEMBL8785757 | 0.73 | NPSR1 (0.41) | NPSR1CES2CES1POLBMEN1 | |
| SCHEMBL8925617 | 0.73 | NPSR1 (0.41) | NPSR1CES2CES1POLBMEN1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0607826-B1 | Fluoro-trifluoromethylbenzoic acid derivatives | BAYER AG (DE) | 1997-05-07 | — | — | EP | disclosed |
| EP-0607826-A1 | Fluoro-Trifluoromethylbenzoic acid derivatives | BAYER AG (DE) | 1994-07-27 | — | — | EP | disclosed |
| EP-0607825-A1 | 6-H-4-OXO-3-quinoline-carboxylic acids and their analogues as antibacterial agents | BAYER AG (DE) | 1994-07-27 | — | — | EP | disclosed |