Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.76 |
| ▸ | HTT | P42858 | 2/20 | 0.53 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | THRB | P10828 | 1/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | GFER | P55789 | 1/20 | 0.50 |
| ▸ | YWHAG | P61981 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.47 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.46 |
| ▸ | ATM | Q13315 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | USP2 | O75604 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL7102897 | 0.98 | NPC1 (0.73) | NPC1HTTMAPTKDM4EMEN1 | |
| SCHEMBL3083169 | 0.86 | NPC1 (1.00) | NPC1HTTMAPTKDM4EMEN1 | |
| SCHEMBL605593 | 0.86 | NPC1 (1.00) | NPC1HTTMAPTKDM4EMEN1 | |
| SCHEMBL31565663 | 0.84 | NPC1 (0.96) | NPC1HTTMAPTKDM4EMEN1 | |
| SCHEMBL3654065 | 0.84 | NPC1 (0.96) | NPC1HTTMAPTKDM4EMEN1 | |
| SCHEMBL17009548 | 0.81 | NPC1 (0.89) | NPC1HTTMAPTKDM4EMEN1 | |
| SCHEMBL2505914 | 0.79 | NPC1 (0.73) | NPC1HTTMAPTKDM4EMEN1 | |
| SCHEMBL20587384 | 0.77 | NPC1 (0.71) | NPC1HTTMAPTKDM4EMEN1 | |
| Trifluoroacetic Acid SCHEMBL5104669 | 0.77 | NPC1 (0.79) | NPC1HTTMAPTKDM4EMEN1 | |
| SCHEMBL210767 | 0.76 | BCAT2 (0.74) | NPC1MAPTKDM4EHSD17B10KEAP1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0944598-B1 | SUBSTITUTED BENZAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | SMITHKLINE BEECHAM PLC (GB) | 2003-09-24 | — | — | EP | claimed |
| US-6395759-B1 | PSYCHOLOGICAL DISORDERS | SMITHKLINE BEECHAM P.L.C. (GB) | 2002-05-28 | — | — | US | claimed |
| EP-0944598-A2 | SUBSTITUTED BENZAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | SMITHKLINE BEECHAM PLC (GB) | 1999-09-29 | — | — | EP | claimed |
| WO-1998024764-A2 | SUBSTITUTED BENZAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | SMITHKLINE BEECHAM P.L.C. (GB) | 1998-06-11 | — | — | WO | claimed |