Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.69 |
| ▸ | RAB9A | P51151 | 1/20 | 0.69 |
| ▸ | HTR7 | P34969 | 1/20 | 0.60 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.57 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.54 |
| ▸ | CES2 | O00748 | 1/20 | 0.50 |
| ▸ | CES1 | P23141 | 1/20 | 0.50 |
| ▸ | PLOD2 | O00469 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | HTT | P42858 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL20491214 | 0.98 | NPC1 (0.67) | NPC1RAB9AHTR7PTPN1HSD11B1 | |
| SCHEMBL11490646 | 0.94 | RAB9A (0.62) | NPC1RAB9AHTR7PTPN1HSD11B1 | |
| SCHEMBL16853371 | 0.89 | L3MBTL1 (0.52) | NPC1RAB9AHTR7CES1KDM4E | |
| SCHEMBL15607726 | 0.88 | NPC1 (0.77) | NPC1RAB9AHTR7PTPN1HSD11B1 | |
| SCHEMBL26584242 | 0.86 | NPC1 (0.82) | NPC1RAB9AHTR7PTPN1HSD11B1 | |
| SCHEMBL633279 | 0.84 | NPC1 (0.72) | NPC1RAB9AHTR7PTPN1HSD11B1 | |
| SCHEMBL4485908 | 0.83 | RAB9A (0.69) | NPC1RAB9AHTR7PTPN1HSD11B1 | |
| SCHEMBL9680520 | 0.82 | NPC1 (0.91) | NPC1RAB9AHTR7PTPN1HSD11B1 | |
| SCHEMBL1779295 | 0.82 | NPC1 (0.61) | NPC1RAB9AHTR7PTPN1HSD11B1 | |
| SCHEMBL28882512 | 0.81 | NPC1 (0.80) | NPC1RAB9AHTR7PTPN1HSD11B1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009094169-A1 | CYCLIC CARBAZATE AND SEMICARBAZIDE INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 | VITAE PHARMACEUTICALS, INC. (US) | 2009-07-30 | — | — | WO | disclosed |
| US-7368467-B2 | Calcium channel modulators 2-(alkyl or (hetero)arylalkylthio)-imidazoles and S-oxides thereof; angina, hypertension, congestive heart failure, myocardial ischemia, arrhythmia, diabetes, urinary incontinence, stroke, pain, brain injury, or neuronal disorders | WYETH (US) | 2008-05-06 | — | — | US | disclosed |
| US-7368467-B2 | Calcium channel modulators 2-(alkyl or (hetero)arylalkylthio)-imidazoles and S-oxides thereof; angina, hypertension, congestive heart failure, myocardial ischemia, arrhythmia, diabetes, urinary incontinence, stroke, pain, brain injury, or neuronal disorders | WYETH (US) | 2008-05-06 | — | — | US | disclosed |