Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 9/20 | 0.36 |
| ▸ | AKR1C2 | P52895 | 9/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | CDC42 | P60953 | 1/20 | 0.33 |
| ▸ | RAC1 | P63000 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9345918 | 0.83 | AKR1C3 (0.51) | AKR1C3AKR1C2SMN1; SMN2PTGS2PTGS1 | |
| SCHEMBL30744065 | 0.79 | UGT2B7 (0.44) | AKR1C3AKR1C2SMN1; SMN2TDP1ALDH1A1 | |
| SCHEMBL29279726 | 0.79 | UGT2B7 (0.44) | AKR1C3AKR1C2SMN1; SMN2TDP1ALDH1A1 | |
| SCHEMBL9257901 | 0.77 | PTGS2 (0.46) | AKR1C3AKR1C2PTGS2PTGS1CYP2C9 | |
| SCHEMBL13144265 | 0.74 | ALDH1A1 (0.47) | SMN1; SMN2TDP1ALDH1A1MEN1KMT2A | |
| SCHEMBL10980506 | 0.74 | PTGS1 (0.47) | SMN1; SMN2TDP1PTGS2PTGS1ALDH1A1 | |
| SCHEMBL23276955 | 0.73 | TDP1 (0.48) | TDP1PTGS2PTGS1ALDH1A1MEN1 | |
| SCHEMBL8559116 | 0.73 | ALDH1A1 (0.51) | AKR1C3AKR1C2SMN1; SMN2PTGS1ALDH1A1 | |
| SCHEMBL3141629 | 0.73 | ALDH1A1 (0.51) | AKR1C3AKR1C2SMN1; SMN2PTGS2PTGS1 | |
| SCHEMBL27581017 | 0.73 | ALDH1A1 (0.51) | AKR1C3AKR1C2SMN1; SMN2PTGS2PTGS1 |
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-0333522-B1 | Catechol derivatives and pharmaceutical preparations containing same | MITSUI TOATSU CHEMICALS (JP) | 1994-08-17 | — | — | EP | disclosed |
| US-5232923-A | Stimulates production of nerve growth factor; administering for treatment of regressive disorders of the central nervous system | MITSUI TOATSU CHEMICALS, INCORPORATED (JP) | 1993-08-03 | — | — | US | disclosed |