Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 1/20 | 0.45 |
| ▸ | GRK2 | P25098 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 4/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | DAO | P14920 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6679870 | 0.87 | MAPT (0.43) | ROCK2GRK2MAPTHTTMEN1 | |
| SCHEMBL6663788 | 0.81 | MAOB (0.48) | MAPTMEN1KMT2AKDM4EMAOA | |
| SCHEMBL6154721 | 0.79 | IDO1 (0.46) | MAPTHTTMEN1KMT2AKDM4E | |
| SCHEMBL6154708 | 0.76 | MAOA (0.50) | MEN1KMT2ATAAR1SLC6A4CYP3A4 | |
| Ammonia Solution, Strong SCHEMBL6679866 | 0.75 | MAOA (0.48) | MEN1KMT2ATAAR1SLC6A4CYP3A4 | |
| SCHEMBL6154702 | 0.74 | MAOA (0.42) | MAPTHTTMEN1KMT2AKDM4E | |
| SCHEMBL19973146 | 0.73 | MAOA (0.51) | SLC6A4CYP3A4HAO1MAOAMAOB | |
| SCHEMBL1323274 | 0.68 | MAOB (0.54) | ROCK2GRK2MAPTHTTMEN1 | |
| SCHEMBL6076179 | 0.68 | MAOA (0.60) | MEN1KMT2ATAAR1SLC6A4CYP3A4 | |
| SCHEMBL5391138 | 0.67 | ALDH1A1 (0.62) | MAPTMEN1KMT2AKDM4ETAAR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1446110-A2 | ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES | Structural Bioinformatics Inc. (US) | 2004-08-18 | — | — | EP | disclosed |
| WO-2003032916-A2 | ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES | STRUCTURAL BIOINFORMATICS INC. (US) | 2003-04-24 | — | — | WO | disclosed |