Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | MMP2 | P08253 | 1/20 | 0.41 |
| ▸ | MMP9 | P14780 | 1/20 | 0.41 |
| ▸ | MMP12 | P39900 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.39 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.38 |
| ▸ | SLC2A4 | P14672 | 1/20 | 0.38 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.38 |
| ▸ | PPARA | Q07869 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 4/20 | 0.37 |
| ▸ | OPRD1 | P41143 | 3/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7122941 | 1.00 | NPC1 (0.45) | NPC1MAPTMAPK1HTTRAB9A | |
| Hydrochloric Acid SCHEMBL7169684 | 0.99 | HTT (0.47) | NPC1MAPTMAPK1HTTRAB9A | |
| Hydrochloric Acid SCHEMBL7169681 | 0.99 | HTT (0.47) | NPC1MAPTMAPK1HTTRAB9A | |
| SCHEMBL7162983 | 0.88 | NPC1 (0.55) | NPC1MAPTMAPK1HTTRAB9A | |
| SCHEMBL7114759 | 0.88 | NPC1 (0.55) | NPC1MAPTMAPK1HTTRAB9A | |
| SCHEMBL7125313 | 0.88 | NPC1 (0.55) | NPC1MAPTMAPK1HTTRAB9A | |
| SCHEMBL7116370 | 0.88 | MAPT (0.43) | NPC1MAPTMAPK1HTTRAB9A | |
| SCHEMBL7116367 | 0.88 | MAPT (0.43) | NPC1MAPTMAPK1HTTRAB9A | |
| Hydrochloric Acid SCHEMBL7168766 | 0.87 | MAPT (0.57) | NPC1MAPTMAPK1HTTRAB9A | |
| Hydrochloric Acid SCHEMBL7168611 | 0.87 | MAPT (0.57) | NPC1MAPTMAPK1HTTRAB9A |
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 |
|---|---|---|---|---|---|---|---|
| JP-2003505358-A | — | — | 2003-02-12 | — | — | JP | claimed |
| EP-1196373-A1 | 3-AMINO-2-BENZYL-1-PHENYL-PROPANE DERIVATIVES | Grünenthal GmbH (DE) | 2002-04-17 | — | — | EP | claimed |
| WO-2001005743-A1 | 3-AMINO-2-BENZYL-1-PHENYL-PROPANE DERIVATIVES | Grünenthal GmbH (DE) | 2001-01-25 | — | — | WO | claimed |
| EP-1196373-A1 | 3-AMINO-2-BENZYL-1-PHENYL-PROPANE DERIVATIVES | Grünenthal GmbH (DE) | 2002-04-17 | — | — | EP | disclosed |
| WO-2001005743-A1 | 3-AMINO-2-BENZYL-1-PHENYL-PROPANE DERIVATIVES | Grünenthal GmbH (DE) | 2001-01-25 | — | — | WO | disclosed |