Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.61 |
| ▸ | NPC1 | O15118 | 6/20 | 0.50 |
| ▸ | RAB9A | P51151 | 6/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.50 |
| ▸ | PKM | P14618 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | MASP2 | O00187 | 1/20 | 0.47 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.47 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6755353 | 0.85 | NPSR1 (0.61) | NPSR1NPC1RAB9AALDH1A1KDM4E | |
| SCHEMBL5212881 | 0.80 | NPSR1 (0.40) | NPSR1NPC1RAB9AALDH1A1KDM4E | |
| SCHEMBL5720453 | 0.78 | NPSR1 (0.68) | NPSR1NPC1RAB9AALDH1A1KDM4E | |
| SCHEMBL229852 | 0.78 | NPSR1 (0.68) | NPSR1NPC1RAB9AALDH1A1KDM4E | |
| SCHEMBL5169413 | 0.78 | NPSR1 (0.53) | NPSR1NPC1RAB9AALDH1A1KDM4E | |
| SCHEMBL10295 | 0.76 | NPSR1 (1.00) | NPSR1NPC1RAB9AALDH1A1KDM4E | |
| SCHEMBL30633367 | 0.76 | NPSR1 (0.66) | NPSR1NPC1RAB9AALDH1A1KDM4E | |
| SCHEMBL4374246 | 0.76 | NPSR1 (0.78) | NPSR1NPC1RAB9AALDH1A1KDM4E | |
| SCHEMBL29353981 | 0.76 | NPSR1 (1.00) | NPSR1NPC1RAB9AALDH1A1KDM4E | |
| SCHEMBL13401355 | 0.76 | NPSR1 (0.66) | NPSR1NPC1RAB9AALDH1A1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-2049481-A2 | NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS | SmithKline Beecham Corporation (US) | 2009-04-22 | — | — | EP | disclosed |
| WO-2008021851-A2 | NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS | SMITHKLINE BEECHAM CORPORATION (US) | 2008-02-21 | — | — | WO | disclosed |
| US-6712262-B2 | BENZIMIDAZOLE AND IODINE COMPOUNDS | TAMURAKAKEN CORPORATION (JP) | 2004-03-30 | — | — | US | disclosed |