Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 6/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | PTGIR | P43119 | 1/20 | 0.37 |
| ▸ | CDK4 | P11802 | 1/20 | 0.36 |
| ▸ | CCND1 | P24385 | 1/20 | 0.36 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.36 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.35 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11327193 | 0.89 | CFTR (0.41) | NPC1RAB9AHDAC6NPSR1CDK4 | |
| SCHEMBL11321942 | 0.87 | PTGIR (0.39) | NPC1RAB9AHDAC6NPSR1PTGIR | |
| SCHEMBL11311686 | 0.87 | PTGIR (0.41) | NPC1RAB9AHDAC6NPSR1PTGIR | |
| SCHEMBL11325054 | 0.84 | NPSR1 (0.39) | NPC1RAB9AHDAC6NPSR1PTGIR | |
| SCHEMBL11116763 | 0.82 | HDAC6 (0.43) | NPC1RAB9AHDAC6NPSR1PTGIR | |
| SCHEMBL11220562 | 0.82 | HTT (0.44) | NPC1RAB9AHDAC6NPSR1PTGIR | |
| SCHEMBL11310145 | 0.82 | NPSR1 (0.45) | NPC1RAB9ANPSR1PTGIRABCB1 | |
| SCHEMBL11314690 | 0.80 | HDAC6 (0.39) | NPC1RAB9AHDAC6NPSR1PTGIR | |
| SCHEMBL11317140 | 0.80 | CFTR (0.43) | CXCR3SMN1; SMN2S1PR1 | |
| SCHEMBL11312940 | 0.79 | PTGIR (0.46) | NPC1RAB9APTGIRMAPT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4250183-A | GASTOINTESTINAL DISORDERS; DISEASES OF THE PANCREAS, GALL BLADDER, AND LIVER | BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 1981-02-10 | — | — | US | disclosed |