Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MIF | P14174 | 9/20 | 0.61 |
| ▸ | TRPA1 | O75762 | 3/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.61 |
| ▸ | HPGD | P15428 | 1/20 | 0.61 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.46 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | GSDMD | P57764 | 1/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.45 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.45 |
| ▸ | MGLL | Q99685 | 1/20 | 0.43 |
| ▸ | NAAA | Q02083 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | 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 | |
|---|---|---|---|---|
| Benzyl Isothiocyanate SCHEMBL9756715 | 0.84 | MIF (0.59) | MIFTRPA1ALDH1A1CYP3A4HPGD | |
| Benzyl Isothiocyanate SCHEMBL11877620 | 0.80 | MIF (0.80) | MIFTRPA1ALDH1A1CYP3A4HPGD | |
| Benzyl Isothiocyanate SCHEMBL27789925 | 0.78 | MIF (1.00) | MIFTRPA1ALDH1A1CYP3A4HPGD | |
| Benzyl Isothiocyanate SCHEMBL44145 | 0.78 | MIF (1.00) | MIFTRPA1ALDH1A1CYP3A4HPGD | |
| Benzyl Isothiocyanate SCHEMBL28130423 | 0.76 | MIF (0.95) | MIFTRPA1ALDH1A1CYP3A4HPGD | |
| Benzyl Isothiocyanate SCHEMBL2143472 | 0.76 | MIF (0.95) | MIFTRPA1ALDH1A1CYP3A4HPGD | |
| Benzyl Isothiocyanate SCHEMBL27767110 | 0.75 | MIF (0.77) | MIFTRPA1ALDH1A1CYP3A4HPGD | |
| Benzyl Isothiocyanate SCHEMBL28948292 | 0.75 | MIF (0.77) | MIFTRPA1ALDH1A1CYP3A4HPGD | |
| Ditiocarb SCHEMBL10336922 | 0.74 | ALDH1A1 (0.59) | ALDH1A1CYP2E1ABCB11PTGS1HTT | |
| SCHEMBL28659300 | 0.74 | MGLL (0.64) | ALDH1A1CYP2E1ABCB11PTGS1HTT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5016655-A | Cigarette manufacturing process | C.A. BLOCKERS, INC. (US) | 1991-05-21 | — | — | US | disclosed |