Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.57 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 4/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.43 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.43 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | GLS | O94925 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | DRD3 | P35462 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8091833 | 1.00 | TAAR1 (0.57) | TAAR1TSHRNPC1SMN1; SMN2ALDH1A1 | |
| SCHEMBL4841431 | 1.00 | TAAR1 (0.57) | TAAR1TSHRNPC1SMN1; SMN2ALDH1A1 | |
| SCHEMBL8100975 | 1.00 | TAAR1 (0.57) | TAAR1TSHRNPC1SMN1; SMN2ALDH1A1 | |
| SCHEMBL3465372 | 1.00 | TAAR1 (0.57) | TAAR1TSHRNPC1SMN1; SMN2ALDH1A1 | |
| SCHEMBL8105148 | 1.00 | TAAR1 (0.57) | TAAR1TSHRNPC1SMN1; SMN2ALDH1A1 | |
| SCHEMBL4847564 | 1.00 | TAAR1 (0.57) | TAAR1TSHRNPC1SMN1; SMN2ALDH1A1 | |
| SCHEMBL3609572 | 1.00 | TAAR1 (0.57) | TAAR1TSHRNPC1SMN1; SMN2ALDH1A1 | |
| SCHEMBL9670131 | 0.98 | TAAR1 (0.55) | TAAR1TSHRNPC1SMN1; SMN2ALDH1A1 | |
| SCHEMBL11461413 | 0.98 | TAAR1 (0.55) | TAAR1TSHRNPC1SMN1; SMN2ALDH1A1 | |
| SCHEMBL317137 | 0.98 | TAAR1 (0.59) | TAAR1TSHRNPC1SMN1; SMN2ALDH1A1 |
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 |