Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 6/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.35 |
| ▸ | HTR2A | P28223 | 2/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.35 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.35 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.35 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7969044 | 0.69 | POLB (0.37) | TSHRALDH1A1ADRA2BADRA2CSLC6A2 | |
| SCHEMBL7981778 | 0.69 | SIGMAR1 (0.45) | SIGMAR1SMN1; SMN2KMT2AMEN1KDM4E | |
| SCHEMBL1671904 | 0.68 | — | — | |
| SCHEMBL3411875 | 0.66 | TAAR1 (0.52) | SIGMAR1ADRA2BADRA2CSLC6A2HTR2A | |
| SCHEMBL20682942 | 0.65 | TSHR (0.46) | TSHRALDH1A1SIGMAR1SMN1; SMN2ADRA2B | |
| SCHEMBL9185293 | 0.65 | TRPA1 (0.40) | SIGMAR1SLC6A2SLC6A3CYP2D6SLC6A4 | |
| SCHEMBL7981836 | 0.65 | TDP1 (0.38) | TSHRALDH1A1NPSR1LMNACYP3A4 | |
| SCHEMBL8864186 | 0.64 | TSHR (0.45) | TSHRALDH1A1SIGMAR1SMN1; SMN2ADRA2B | |
| SCHEMBL13601327 | 0.64 | RIPK1 (0.42) | TSHRALDH1A1SIGMAR1ADRA2BADRA2C | |
| SCHEMBL18135496 | 0.64 | SLC6A2 (0.44) | TSHRALDH1A1SIGMAR1SMN1; SMN2ADRA2B |
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 |
|---|---|---|---|---|---|---|---|
| US-6235730-B1 | ANTICHOLESTEROL AGENT, ANTILIPEMIC AGENT | JAPAN TOBACCO, INC. (JP) | 2001-05-22 | — | — | US | disclosed |
| EP-0970954-A1 | 3-PIPERIDYL-4-OXOQUINAZOLINE DERIVATIVES AND MEDICINCAL COMPOSITIONS CONTAINING THE SAME | JAPAN TOBACCO INC. (JP) | 2000-01-12 | — | — | EP | disclosed |