Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MPO | P05164 | 11/20 | 0.91 |
| ▸ | HTR2A | P28223 | 6/20 | 0.91 |
| ▸ | TRPM8 | Q7Z2W7 | 3/20 | 0.91 |
| ▸ | HTR1A | P08908 | 2/20 | 0.88 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.88 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.68 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.63 |
| ▸ | HTR1D | P28221 | 2/20 | 0.60 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.60 |
| ▸ | HTR3B | O95264 | 1/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.60 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.60 |
| ▸ | TSHR | P16473 | 1/20 | 0.60 |
| ▸ | DRD1 | P21728 | 1/20 | 0.60 |
| ▸ | HTR1B | P28222 | 1/20 | 0.60 |
| ▸ | HTR2C | P28335 | 1/20 | 0.60 |
| ▸ | HTR1E | P28566 | 1/20 | 0.60 |
| ▸ | HTR1F | P30939 | 1/20 | 0.60 |
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 | |
|---|---|---|---|---|
| SCHEMBL28364393 | 0.95 | MPO (1.00) | MPOHTR2ATRPM8HTR1AKMT2A | |
| SCHEMBL387663 | 0.95 | MPO (1.00) | MPOHTR2ATRPM8HTR1AKMT2A | |
| SCHEMBL30155707 | 0.95 | MPO (1.00) | MPOHTR2ATRPM8HTR1AKMT2A | |
| Hydrochloric Acid SCHEMBL1967285 | 0.94 | HTR1A (1.00) | MPOHTR2ATRPM8HTR1AKMT2A | |
| Methane SCHEMBL7805062 | 0.94 | MPO (0.97) | MPOHTR2ATRPM8HTR1AKMT2A | |
| Hydrochloric Acid SCHEMBL30487836 | 0.94 | HTR1A (1.00) | MPOHTR2ATRPM8HTR1AKMT2A | |
| Cyanide SCHEMBL28691191 | 0.88 | HTR2A (0.91) | MPOHTR2ATRPM8HTR1AKMT2A | |
| SCHEMBL3702815 | 0.86 | MPO (1.00) | MPOHTR2ATRPM8HTR1AKMT2A | |
| SCHEMBL3705476 | 0.84 | MPO (1.00) | MPOHTR2ATRPM8HTR1AKMT2A | |
| SCHEMBL2403830 | 0.83 | MPO (1.00) | MPOHTR2ATRPM8HTR1AKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-113845523-B | Polycyclic quinoline derivatives, their preparation and use | 苏州大学 | 2022-07-19 | — | — | CN | disclosed |
| CN-113845523-A | Polycyclic quinoline derivatives, their preparation and use | 苏州大学 | 2021-12-28 | — | — | CN | disclosed |