Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.64 |
| ▸ | RAB9A | P51151 | 3/20 | 0.64 |
| ▸ | HPGD | P15428 | 2/20 | 0.64 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.57 |
| ▸ | POLB | P06746 | 1/20 | 0.57 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.56 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.56 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.56 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.56 |
| ▸ | MEN1 | O00255 | 2/20 | 0.56 |
| ▸ | CTSV | O60911 | 2/20 | 0.55 |
| ▸ | CTSL | P07711 | 2/20 | 0.55 |
| ▸ | ATM | Q13315 | 1/20 | 0.55 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.54 |
| ▸ | RXRA | P19793 | 1/20 | 0.53 |
| ▸ | CASP3 | P42574 | 1/20 | 0.52 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL7366502 | 0.89 | NPC1 (0.65) | NPC1RAB9AHPGDSMN1; SMN2KMT2A | |
| SCHEMBL15197126 | 0.88 | NPC1 (0.55) | NPC1RAB9AHPGDSMN1; SMN2ALDH1A1 | |
| SCHEMBL27881765 | 0.87 | NPC1 (0.77) | NPC1RAB9AHPGDSMN1; SMN2KMT2A | |
| SCHEMBL7367844 | 0.86 | NPC1 (0.65) | NPC1RAB9AHPGDSMN1; SMN2KMT2A | |
| SCHEMBL8718343 | 0.86 | KMT2A (0.68) | NPC1RAB9AHPGDSMN1; SMN2ALDH1A1 | |
| SCHEMBL7371383 | 0.85 | NPC1 (0.64) | NPC1RAB9AHPGDSMN1; SMN2KMT2A | |
| SCHEMBL7370570 | 0.85 | ATM (0.69) | NPC1RAB9AHPGDSMN1; SMN2KMT2A | |
| SCHEMBL7375095 | 0.85 | NPC1 (0.60) | NPC1RAB9AHPGDSMN1; SMN2KMT2A | |
| SCHEMBL7372736 | 0.85 | NPC1 (0.60) | NPC1RAB9AHPGDSMN1; SMN2ALDH1A1 | |
| SCHEMBL7373028 | 0.83 | NPC1 (0.64) | NPC1RAB9AHPGDSMN1; SMN2KMT2A |
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 |