Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.44 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.44 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | GLRA1 | P23415 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | LTA4H | P09960 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11856062 | 0.90 | SLC1A3 (0.44) | ALDH1A1TDP1KMT2ASLC1A3SLC1A2 | |
| SCHEMBL6469723 | 0.83 | ALDH1A1 (0.44) | ALDH1A1TDP1KMT2AGAAMEN1 | |
| SCHEMBL14967187 | 0.82 | ALDH1A1 (0.50) | ALDH1A1TDP1KMT2AGAAMEN1 | |
| SCHEMBL1694868 | 0.82 | MAPT (0.44) | ALDH1A1TDP1KMT2AGAAMEN1 | |
| SCHEMBL18575525 | 0.78 | MEN1 (0.49) | ALDH1A1TDP1KMT2AMEN1TSHR | |
| SCHEMBL10578634 | 0.78 | ALDH1A1 (0.51) | ALDH1A1TDP1KMT2AGAAMEN1 | |
| SCHEMBL28288040 | 0.77 | ALDH1A1 (0.47) | ALDH1A1TDP1KMT2AGAASLC1A3 | |
| Salicylic Acid SCHEMBL27906468 | 0.76 | ALDH1A1 (0.56) | ALDH1A1TDP1KMT2ASLC1A3SLC1A2 | |
| SCHEMBL10448913 | 0.76 | ALDH1A1 (0.52) | ALDH1A1KMT2AMEN1TSHRCYP3A4 | |
| SCHEMBL3451954 | 0.76 | ALDH1A1 (0.45) | ALDH1A1TDP1KMT2AGAASLC1A3 |
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-2200997-A1 | SYNTHESIS OF DEUTERATED CATECHOLS AND BENZOÝD¨Ý1,3¨DIOXOLES AND DERIVATIVES THEREOF | Concert Pharmaceuticals Inc. (US) | 2010-06-30 | — | — | EP | disclosed |
| WO-2009035652-A1 | SYNTHESIS OF DEUTERATED CATECHOLS AND BENZO[D][1,3] DIOXOLES AND DERIVATIVES THEREOF | CONCERT PHARMACEUTICALS, INC. (US) | 2009-03-19 | — | — | WO | disclosed |