Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | TFPI2 | P48307 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | RECQL | P46063 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.43 |
| ▸ | BLM | P54132 | 1/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.43 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | ADAM10 | O14672 | 1/20 | 0.42 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.42 |
| ▸ | MMP2 | P08253 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3175350 | 0.91 | LSS (0.39) | ALDH1A1SMN1; SMN2MAPTMAPK1HTT | |
| SCHEMBL3156915 | 0.88 | MAPT (0.51) | ALDH1A1SMN1; SMN2MAPTKMT2AMEN1 | |
| SCHEMBL3171977 | 0.87 | ALDH1A1 (0.45) | ALDH1A1SMN1; SMN2MAPTMAPK1HTT | |
| SCHEMBL3170296 | 0.86 | SMN1; SMN2 (0.43) | ALDH1A1SMN1; SMN2MAPTMAPK1KMT2A | |
| SCHEMBL3163988 | 0.86 | KDM4E (0.48) | ALDH1A1SMN1; SMN2MAPTMAPK1HTT | |
| SCHEMBL3157437 | 0.85 | GRM5 (0.41) | ALDH1A1SMN1; SMN2HTTRECQLTSHR | |
| SCHEMBL3157536 | 0.83 | CHRM3 (0.43) | ALDH1A1KMT2AMEN1BLMNPSR1 | |
| SCHEMBL3167878 | 0.82 | POLB (0.38) | MAPTHTTTFPI2POLBL3MBTL1 | |
| SCHEMBL3165721 | 0.80 | DHODH (0.43) | ALDH1A1HTTKMT2AMEN1POLB | |
| SCHEMBL3175358 | 0.78 | CHRM1 (0.40) | SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1716128-B1 | SUBSTITUTED 4,5,6,7-TETRAHYDRO-BENZOTHIAZOL-2-YLAMINE COMPOUNDS | GRUENENTHAL GMBH (DE) | 2010-03-31 | — | — | EP | claimed |