Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
| ▸ | HTR2C | P28335 | 1/20 | 0.44 |
| ▸ | HTR2B | P41595 | 1/20 | 0.44 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | PRNP | P04156 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL31611782 | 0.82 | HTR2A (0.39) | HTR2AHTR2CHTR2BFFAR1ALDH1A1 | |
| SCHEMBL18704254 | 0.79 | HTR2A (0.44) | HTR2AHTR2CHTR2BCYP2A6MAPT | |
| SCHEMBL5310780 | 0.79 | KDM1A (0.52) | HTR2CHTR2BCYP2C9CYP2C19CYP2A6 | |
| SCHEMBL2359930 | 0.79 | FFAR1 (0.45) | HTR2AHTR2CHTR2BFFAR1ALDH1A1 | |
| SCHEMBL9543138 | 0.79 | KDM1A (0.56) | HTR2CKDM4EMEN1MAPTKMT2A | |
| SCHEMBL8136211 | 0.79 | GRIA4 (0.39) | HTR2AHTR2CHTR2BFFAR1ALDH1A1 | |
| SCHEMBL8579770 | 0.79 | GRIA4 (0.39) | HTR2AHTR2CHTR2BFFAR1ALDH1A1 | |
| SCHEMBL8830861 | 0.79 | HTR2A (0.37) | HTR2AHTR2CHTR2BFFAR1ALDH1A1 | |
| SCHEMBL5450245 | 0.78 | MAOB (0.48) | HTR2AHTR2CHTR2BCYP1A2CYP3A4 | |
| SCHEMBL3946310 | 0.72 | TAAR1 (0.38) | HTR2AALDH1A1CYP1A2CYP2C19CYP2A6 |
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-1993015100-A1 | NOVEL ADENOSINE DERIVATIVES, THEIR PREPARATION METHODS AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME | LABORATOIRES UPSA (FR) | 1993-08-05 | — | — | WO | disclosed |