Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MIF | P14174 | 6/20 | 0.59 |
| ▸ | NAAA | Q02083 | 7/20 | 0.57 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.44 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.42 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.42 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | KEAP1 | Q14145 | 3/20 | 0.41 |
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 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 | |
|---|---|---|---|---|
| SCHEMBL330501 | 0.79 | MIF (0.81) | MIFNAAATRPA1CYP2E1CYP2A6 | |
| SCHEMBL9855401 | 0.79 | TAAR1 (0.65) | NAAATAAR1DRD2DRD3 | |
| SCHEMBL29126166 | 0.77 | MIF (0.81) | MIFNAAATRPA1CYP2E1CYP2A6 | |
| SCHEMBL10521145 | 0.77 | TAAR1 (0.62) | NAAATAAR1DRD2DRD3 | |
| SCHEMBL8091258 | 0.76 | — | — | |
| Phenylbutyl Isothiocyanate SCHEMBL1526828 | 0.74 | MIF (1.00) | MIFNAAATRPA1CYP2E1CYP2A6 | |
| SCHEMBL28582170 | 0.74 | DRD2 (0.54) | TAAR1HIF1ADRD2DRD3 | |
| SCHEMBL331147 | 0.73 | MIF (0.80) | MIFNAAATRPA1CYP2E1CYP2A6 | |
| Phenylhexyl Isothiocyanate SCHEMBL7809 | 0.73 | NAAA (1.00) | MIFNAAATRPA1CYP2E1CYP2A6 | |
| SCHEMBL17274428 | 0.73 | NAAA (1.00) | MIFNAAATRPA1CYP2E1CYP2A6 |
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 |