Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 5/20 | 0.41 |
| ▸ | HTR2C | P28335 | 5/20 | 0.41 |
| ▸ | HTR2B | P41595 | 5/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 2/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.38 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.38 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.38 |
| ▸ | CNR1 | P21554 | 1/20 | 0.38 |
| ▸ | HRH1 | P35367 | 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 | |
|---|---|---|---|---|
| SCHEMBL30477683 | 0.84 | TP53 (0.44) | TP53GAAALDH1A1HTTHTR2A | |
| SCHEMBL16212244 | 0.84 | TP53 (0.44) | TP53GAAALDH1A1HTTHTR2A | |
| SCHEMBL1617475 | 0.80 | GAA (0.47) | TP53GAAALDH1A1HTTKMT2A | |
| SCHEMBL3385674 | 0.75 | SLC6A2 (0.52) | GAAHTR2CMAPK1KMT2AHTR1A | |
| SCHEMBL13664746 | 0.74 | GABRA1 (0.39) | HTR2AHTR2CHTR2BKMT2ASLC6A2 | |
| Hydrochloric Acid SCHEMBL4886168 | 0.74 | SLC6A2 (0.51) | GAAHTR2AHTR2CHTR2BMAPK1 | |
| SCHEMBL10874193 | 0.71 | TP53 (0.46) | TP53GAAALDH1A1HTTKMT2A | |
| SCHEMBL14458002 | 0.70 | SRD5A1 (0.52) | TP53GAAALDH1A1HTTHTR2A | |
| SCHEMBL10896846 | 0.70 | GAA (0.46) | TP53GAAALDH1A1HTTHTR2A | |
| SCHEMBL1821018 | 0.69 | HTR3A (0.58) | GAAHTR2AHTR2CHTR2BMAPK1 |
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-2009119528-A1 | HETEROCYCLIC COMPOUND | 武田薬品工業株式会社 (JP) | 2009-10-01 | — | — | WO | disclosed |