Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.44 |
| ▸ | RAB9A | P51151 | 4/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.41 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7372700 | 0.82 | RAB9A (0.56) | NPC1RAB9AALDH1A1KMT2AAURKB | |
| SCHEMBL24858664 | 0.79 | TTR (0.53) | NPC1RAB9AALDH1A1KMT2AMEN1 | |
| SCHEMBL7435351 | 0.76 | TPMT (0.41) | KMT2AMEN1PDK1HTT | |
| SCHEMBL11875218 | 0.74 | RAB9A (0.69) | NPC1RAB9AALDH1A1KMT2AMEN1 | |
| SCHEMBL8731669 | 0.74 | GSK3B (0.38) | NPC1RAB9AKMT2AMEN1MAPT | |
| SCHEMBL7369806 | 0.74 | KMT2A (0.42) | NPC1RAB9AALDH1A1KMT2AMEN1 | |
| SCHEMBL7371022 | 0.72 | TDP1 (0.47) | ALDH1A1KMT2AMEN1MAPTPDK1 | |
| SCHEMBL8726017 | 0.72 | PDK1 (0.39) | NPC1RAB9AALDH1A1KMT2AMAPT | |
| SCHEMBL7363433 | 0.72 | TTR (0.60) | RAB9AALDH1A1KMT2AMEN1MAPT | |
| SCHEMBL9383490 | 0.72 | MAPT (0.66) | ALDH1A1KMT2AMEN1MAPTAURKB |
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 5 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 |