Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | IDO1 | P14902 | 2/20 | 0.42 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | MGLL | Q99685 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | HTR2B | P41595 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.38 |
| ▸ | HTR3B | O95264 | 1/20 | 0.38 |
| ▸ | HTR3A | P46098 | 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 | |
|---|---|---|---|---|
| SCHEMBL62723 | 0.78 | TSHR (0.67) | MAPK1TSHRIDO1CES2MGLL | |
| SCHEMBL11662186 | 0.77 | TSHR (0.50) | MAPK1TSHRL3MBTL1IDO1CES2 | |
| SCHEMBL11599553 | 0.76 | TSHR (0.54) | MAPK1TSHRIDO1CES2MGLL | |
| SCHEMBL11227961 | 0.76 | TSHR (0.54) | MAPK1TSHRIDO1CES2MGLL | |
| SCHEMBL7759984 | 0.76 | TSHR (0.54) | MAPK1TSHRIDO1CES2MGLL | |
| Methylamine SCHEMBL27581718 | 0.75 | TSHR (0.65) | MAPK1TSHRIDO1CES2MGLL | |
| Methyl Alcohol SCHEMBL9419583 | 0.75 | TSHR (0.58) | MAPK1TSHRL3MBTL1CES2MGLL | |
| SCHEMBL30252943 | 0.75 | TSHR (0.64) | MAPK1TSHRIDO1CES2MGLL | |
| Fluoride SCHEMBL30661872 | 0.75 | TSHR (0.64) | MAPK1TSHRIDO1CES2MGLL | |
| Benzene SCHEMBL8568955 | 0.75 | TSHR (0.67) | MAPK1TSHRIDO1CES2MGLL |
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-2315763-A1 | BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS | Sirtris Pharmaceuticals, Inc. (US) | 2011-05-04 | — | — | EP | disclosed |
| WO-2010003048-A1 | BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS | SIRTRIS PHARMACEUTICALS, INC. (US) | 2010-01-07 | — | — | WO | disclosed |