Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 2/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | PDE2A | O00408 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | PNMT | P11086 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | GLA | P06280 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.30 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.30 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL16356139 | 0.84 | HTR2A (0.39) | MAOAHTR2AHTR2CCES2CES1 | |
| SCHEMBL1239996 | 0.84 | HTR2A (0.39) | MAOAHTR2AHTR2CCES2CES1 | |
| SCHEMBL16908267 | 0.84 | HTR2A (0.39) | MAOAHTR2AHTR2CCES2CES1 | |
| SCHEMBL12986654 | 0.83 | CES2 (0.35) | HTR2CCES2CES1CYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL20445854 | 0.82 | ALDH1A1 (0.39) | MAOAHTR2AHTR2CCES2CES1 | |
| Hydrochloric Acid SCHEMBL20445855 | 0.82 | ALDH1A1 (0.39) | MAOAHTR2AHTR2CCES2CES1 | |
| Hydrochloric Acid SCHEMBL16321559 | 0.82 | ALDH1A1 (0.39) | MAOAHTR2AHTR2CCES2CES1 | |
| SCHEMBL6745071 | 0.79 | CES2 (0.41) | MAOBCES2CES1HTTALDH1A1 | |
| SCHEMBL30266772 | 0.76 | CES2 (0.36) | MAOBCES2CES1HTT | |
| SCHEMBL2268624 | 0.76 | CES2 (0.36) | MAOBCES2CES1HTT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018205948-A1 | COMPOUNDS | GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) | 2018-11-15 | — | — | WO | disclosed |