Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 6/20 | 0.47 |
| ▸ | PTPN1 | P18031 | 4/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CA3 | P07451 | 1/20 | 0.35 |
| ▸ | SELL | P14151 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | SELP | P16109 | 1/20 | 0.35 |
| ▸ | FUT4 | P22083 | 1/20 | 0.35 |
| ▸ | CA4 | P22748 | 1/20 | 0.35 |
| ▸ | CA6 | P23280 | 1/20 | 0.35 |
| ▸ | DPP4 | P27487 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL22242886 | 0.85 | GSK3B (0.46) | GSK3BPTPN1CYP2C9SLC22A12 | |
| SCHEMBL18629884 | 0.83 | GSK3B (0.45) | GSK3BPTPN1ALDH1A1MAPTCYP2C9 | |
| SCHEMBL8542530 | 0.78 | CA12 (0.61) | KDM4EALDH1A1LMNAMAPTTDP1 | |
| SCHEMBL7369949 | 0.77 | CA5A (0.43) | KDM4EALDH1A1LMNAMAPTTDP1 | |
| SCHEMBL8881196 | 0.76 | GSK3B (0.44) | GSK3BPTPN1 | |
| SCHEMBL8731830 | 0.75 | KDM4E (0.42) | KDM4EALDH1A1LMNAMAPTTDP1 | |
| SCHEMBL29896949 | 0.75 | GSK3B (0.54) | GSK3BPTPN1CNR2 | |
| SCHEMBL14720129 | 0.75 | GSK3B (0.54) | GSK3BPTPN1CNR2 | |
| SCHEMBL10493758 | 0.73 | GSK3B (0.41) | GSK3BPTPN1KDM4EALDH1A1LMNA | |
| SCHEMBL23317589 | 0.72 | GSK3B (0.44) | GSK3BPTPN1ALDH1A1LMNAGAA |
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 |