Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.76 |
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | MAOB | P27338 | 1/20 | 0.50 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.47 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.47 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | HRH1 | P35367 | 2/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8099155 | 1.00 | TAAR1 (0.76) | TAAR1TSHRMAOBADRA2AADRA2B | |
| SCHEMBL5346543 | 1.00 | TAAR1 (0.76) | TAAR1TSHRMAOBADRA2AADRA2B | |
| SCHEMBL8099228 | 1.00 | TAAR1 (0.76) | TAAR1TSHRMAOBADRA2AADRA2B | |
| SCHEMBL7261878 | 1.00 | TAAR1 (0.76) | TAAR1TSHRMAOBADRA2AADRA2B | |
| SCHEMBL8107486 | 1.00 | TAAR1 (0.76) | TAAR1TSHRMAOBADRA2AADRA2B | |
| SCHEMBL921170 | 1.00 | TAAR1 (0.76) | TAAR1TSHRMAOBADRA2AADRA2B | |
| SCHEMBL8099646 | 1.00 | TAAR1 (0.76) | TAAR1TSHRMAOBADRA2AADRA2B | |
| Hydrochloric Acid SCHEMBL1222581 | 0.98 | TAAR1 (0.73) | TAAR1TSHRMAOBADRA2AADRA2B | |
| SCHEMBL921555 | 0.98 | TAAR1 (0.79) | TAAR1TSHRMAOBADRA2AADRA2B | |
| Hydrochloric Acid SCHEMBL17260635 | 0.96 | TAAR1 (0.76) | TAAR1TSHRMAOBADRA2AADRA2B |
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-6166003-A | Heterocyclic compounds for cancer chemoprevention | LKT LABORATORIES, INC. (US) | 2000-12-26 | — | — | US | disclosed |
| WO-2000049013-A1 | ISOTHIO CYANATO ALKYLTHIOPHENES AS CANCER CHEMOPROTECTIVE AGENTS | LKT LABORATORIES, INC. (US) | 2000-08-24 | — | — | WO | disclosed |