Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.62 |
| ▸ | MEN1 | O00255 | 3/20 | 0.62 |
| ▸ | MAPT | P10636 | 3/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.62 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.62 |
| ▸ | GAA | P10253 | 1/20 | 0.62 |
| ▸ | NPC1 | O15118 | 5/20 | 0.53 |
| ▸ | IDO1 | P14902 | 1/20 | 0.48 |
| ▸ | TDO2 | P48775 | 1/20 | 0.48 |
| ▸ | TPMT | P51580 | 1/20 | 0.48 |
| ▸ | KCNMA1 | Q12791 | 2/20 | 0.47 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.47 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL9530950 | 0.88 | KMT2A (0.75) | ALDH1A1MEN1MAPTKMT2ASMN1; SMN2 | |
| SCHEMBL7364411 | 0.80 | TTR (0.60) | ALDH1A1MEN1MAPTKMT2ASMN1; SMN2 | |
| SCHEMBL8729017 | 0.80 | TPMT (0.54) | ALDH1A1MEN1MAPTKMT2ASMN1; SMN2 | |
| SCHEMBL29149105 | 0.79 | KMT2A (0.73) | ALDH1A1MEN1MAPTKMT2ASMN1; SMN2 | |
| SCHEMBL8406620 | 0.78 | KMT2A (0.56) | ALDH1A1MEN1MAPTKMT2ASMN1; SMN2 | |
| SCHEMBL311717 | 0.77 | NPC1 (0.60) | ALDH1A1MEN1MAPTKMT2ASMN1; SMN2 | |
| SCHEMBL8109202 | 0.77 | TPMT (0.52) | ALDH1A1MEN1KMT2AGAATPMT | |
| SCHEMBL29149100 | 0.77 | KMT2A (0.70) | ALDH1A1MEN1MAPTKMT2ASMN1; SMN2 | |
| SCHEMBL1447632 | 0.76 | TPMT (0.51) | ALDH1A1MEN1MAPTKMT2ASMN1; SMN2 | |
| SCHEMBL7368574 | 0.75 | TUBB4A (0.57) | ALDH1A1MAPTSMN1; SMN2TPMTABCB1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5705703-A | ENZYME INHIBITORS OF TRANSFERASES | HOFFMANN-LA ROCHE INC. (US) | 1998-01-06 | — | — | US | disclosed |
| US-5633371-A | ENZYME INHIBITORS; TREATMENT OF DEPRESSION AND PARKINSON*S DISEASE | HOFFMANN-LA ROCHE INC. (US) | 1997-05-27 | — | — | US | disclosed |
| US-5476875-A | Catechol derivatives | HOFFMAN-LA ROCHE INC. (US) | 1995-12-19 | — | — | US | disclosed |
| US-5389653-A | Inhibitors of the enzyme catechol-O-methyltransferase; useful as co-medication in treatment of Parkinson's disease | HOFFMAN-LA ROCHE INC. (US) | 1995-02-14 | — | — | US | disclosed |
| US-5236952-A | Inhibit the enzyme catechol-O-methyltransferase; for treatment of Parkinson's disease administered with L-dopa | HOFFMANN-LA ROCHE INC. (US) | 1993-08-17 | — | — | US | disclosed |
| EP-0237929-B1 | 3,5-DISUBSTITUTED PYROCATECHOL DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 1993-06-02 | — | — | EP | disclosed |
| EP-0237929-A1 | 3,5-Disubstituted pyrocatechol derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1987-09-23 | — | — | EP | disclosed |