Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 3/20 | 0.43 |
| ▸ | HTR2C | P28335 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | HTR2B | P41595 | 1/20 | 0.43 |
| ▸ | PIM1 | P11309 | 6/20 | 0.43 |
| ▸ | PIM2 | Q9P1W9 | 2/20 | 0.43 |
| ▸ | GSK3A | P49840 | 1/20 | 0.43 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29824050 | 1.00 | HTR2A (0.43) | HTR2AHTR2CCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL9541540 | 0.89 | HTR2A (0.37) | HTR2AHTR2CLMNAKMT2A | |
| SCHEMBL12877368 | 0.81 | NR3C1 (0.37) | LMNA | |
| SCHEMBL9593644 | 0.80 | DRD3 (0.45) | CYP1A2CYP2C9MEN1LMNACYP2D6 | |
| SCHEMBL20656045 | 0.79 | HTR2C (0.66) | HTR2AHTR2CCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL10874926 | 0.79 | GSK3B (0.43) | HTR2AHTR2CCYP1A2CYP3A4CYP2C9 | |
| Ammonia Solution, Strong SCHEMBL5917439 | 0.78 | HTR2C (0.68) | HTR2AHTR2CCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL10375756 | 0.76 | KCNA3 (0.44) | CYP1A2LMNA | |
| SCHEMBL18305472 | 0.76 | HTR2C (0.66) | HTR2AHTR2CCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL28118365 | 0.76 | PTGER4 (0.45) | HTR2AHTR2CCYP1A2CYP3A4CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1997020849-A1 | CEPHALOSPORIN FLUOROQUINOLONATE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | LABORATORIOS ARANDA, S.A. DE C.V. (IT) | 1997-06-12 | — | — | WO | claimed |
| EP-0249620-B1 | PROCESS FOR THE PREPARATION OF QUINOLINE CARBOXYLIC ACIDS | CHINOIN Gyogyszer és Vegyészeti Termékek Gyára RT. (HU) | 1992-11-19 | — | — | EP | disclosed |