Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 1/20 | 0.46 |
| ▸ | IDO1 | P14902 | 5/20 | 0.41 |
| ▸ | NOS3 | P29474 | 1/20 | 0.41 |
| ▸ | NOS1 | P29475 | 1/20 | 0.41 |
| ▸ | NOS2 | P35228 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.39 |
| ▸ | CTSL | P07711 | 1/20 | 0.39 |
| ▸ | CTSB | P07858 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9222324 | 1.00 | MAOB (0.46) | MAOBIDO1NOS3NOS1NOS2 | |
| SCHEMBL9217999 | 1.00 | MAOB (0.46) | MAOBIDO1NOS3NOS1NOS2 | |
| SCHEMBL8374191 | 0.90 | MAOB (0.50) | MAOBIDO1NOS3NOS1NOS2 | |
| SCHEMBL8374190 | 0.90 | MAOB (0.50) | MAOBIDO1NOS3NOS1NOS2 | |
| SCHEMBL8374192 | 0.90 | MAOB (0.50) | MAOBIDO1NOS3NOS1NOS2 | |
| SCHEMBL23969716 | 0.81 | IDO1 (0.43) | MAOBIDO1NOS3NOS1NOS2 | |
| SCHEMBL12203818 | 0.81 | MAOB (0.42) | MAOBIDO1NOS3NOS1NOS2 | |
| SCHEMBL3669608 | 0.79 | PAM (0.55) | MAOBIDO1NOS3NOS1NOS2 | |
| SCHEMBL5974329 | 0.79 | PAM (0.55) | MAOBIDO1NOS3NOS1NOS2 | |
| SCHEMBL8541497 | 0.79 | MAOB (0.50) | MAOBIDO1NOS3NOS1NOS2 |
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-5478959-A | Method for preparing 1,2-dithiins and precursors of 1,2-dithiins | THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) | 1995-12-26 | — | — | US | disclosed |