Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MIF | P14174 | 5/20 | 0.54 |
| ▸ | NAAA | Q02083 | 7/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.51 |
| ▸ | USP2 | O75604 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | 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 |
| ▸ | KEAP1 | Q14145 | 5/20 | 0.41 |
| ▸ | NFE2L2 | Q16236 | 5/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7094868 | 0.79 | ALDH1A1 (0.67) | ALDH1A1CYP3A4ALOX15USP2HPGD | |
| SCHEMBL7093157 | 0.77 | ALDH1A1 (0.70) | ALDH1A1CYP3A4ALOX15USP2HPGD | |
| SCHEMBL919983 | 0.77 | ALDH1A1 (0.51) | ALDH1A1CYP3A4ALOX15USP2HPGD | |
| SCHEMBL835383 | 0.76 | — | — | |
| SCHEMBL919760 | 0.75 | ALDH1A1 (0.54) | ALDH1A1CYP3A4ALOX15USP2HPGD | |
| SCHEMBL11060991 | 0.74 | ALDH1A1 (0.61) | ALDH1A1CYP3A4ALOX15USP2HPGD | |
| SCHEMBL28413600 | 0.74 | — | — | |
| SCHEMBL922201 | 0.74 | ALDH1A1 (0.56) | ALDH1A1CYP3A4ALOX15USP2HPGD | |
| SCHEMBL919699 | 0.72 | ALDH1A1 (0.59) | ALDH1A1CYP3A4ALOX15USP2HPGD | |
| SCHEMBL920596 | 0.72 | ALDH1A1 (0.59) | ALDH1A1CYP3A4ALOX15USP2HPGD |
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 |