Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 3/20 | 0.48 |
| ▸ | MAOA | P21397 | 2/20 | 0.48 |
| ▸ | IDO1 | P14902 | 4/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.43 |
| ▸ | NOS3 | P29474 | 1/20 | 0.41 |
| ▸ | NOS1 | P29475 | 1/20 | 0.41 |
| ▸ | NOS2 | P35228 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | EGFR | P00533 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.39 |
| ▸ | CTSL | P07711 | 1/20 | 0.39 |
| ▸ | CTSB | P07858 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
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 Thiocyanate SCHEMBL129196 | 1.00 | MAOB (0.48) | MAOBMAOAIDO1ALDH1A1CYP1A1 | |
| Benzyl Thiocyanate SCHEMBL11858619 | 0.98 | MAOB (0.47) | MAOBMAOAIDO1ALDH1A1CYP1A1 | |
| Benzyl Thiocyanate SCHEMBL11808092 | 0.91 | MAOB (0.43) | MAOBMAOAIDO1ALDH1A1CYP1A1 | |
| Benzyl Thiocyanate SCHEMBL27626794 | 0.89 | CYP1A2 (0.44) | MAOBMAOAIDO1ALDH1A1CYP1A1 | |
| Benzyl Thiocyanate SCHEMBL28794226 | 0.88 | MAOA (0.41) | MAOBMAOAIDO1ALDH1A1CYP1A1 | |
| Benzyl Thiocyanate SCHEMBL21114375 | 0.88 | MAOA (0.41) | MAOBMAOAIDO1ALDH1A1CYP1A1 | |
| Benzyl Thiocyanate SCHEMBL27719691 | 0.88 | CYP1A2 (0.46) | MAOBMAOAIDO1ALDH1A1CYP1A2 | |
| SCHEMBL4941438 | 0.87 | ALDH1A1 (0.40) | MAOBMAOAIDO1ALDH1A1CYP1A1 | |
| SCHEMBL18721315 | 0.82 | SNCA (0.44) | MAOBMAOAIDO1CYP1A2POLB | |
| SCHEMBL8764047 | 0.80 | TSHR (0.36) | MAOBMAOAIDO1ALDH1A1CYP1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101367771-A | Synthesis of 1-substituted-5-sulfhydryl-tetrazole compounds or its salt | UNIV QINGDAO SCIENCE & TECHNOLOGY (CN) | 2009-02-18 | — | — | CN | disclosed |