Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | PNMT | P11086 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.37 |
| ▸ | HTR2A | P28223 | 3/20 | 0.35 |
| ▸ | HTR2C | P28335 | 3/20 | 0.35 |
| ▸ | HTR2B | P41595 | 3/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.34 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.34 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.34 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL27173435 | 0.78 | CA1 (0.45) | TSHRALDH1A1TDP1HTR2AHTR2C | |
| SCHEMBL13664708 | 0.73 | LMNA (0.42) | TSHRALDH1A1SLC6A2SLC6A3GAA | |
| SCHEMBL13664709 | 0.72 | HTR3A (0.46) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL22456068 | 0.68 | PDCD1LG2 (0.47) | TSHRSLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL245508 | 0.67 | SLC6A2 (0.57) | SLC6A2SLC6A4SLC6A3KCNH2HTR2C | |
| Hydrochloric Acid SCHEMBL31444465 | 0.67 | PDCD1LG2 (0.46) | ALDH1A1SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL21452232 | 0.66 | TP53 (0.44) | ALDH1A1GAA | |
| SCHEMBL13664736 | 0.66 | HTR2A (0.43) | TSHRALDH1A1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL4429629 | 0.66 | IDO1 (0.58) | TSHRALDH1A1TDP1 | |
| SCHEMBL1822134 | 0.65 | HTR3A (0.49) | SLC6A2SLC6A4SLC6A3KCNH2HTR2C |
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 |