Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | AGER | Q15109 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 2/20 | 0.39 |
| ▸ | CES1 | P23141 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11220562 | 0.86 | HTT (0.44) | NPSR1HTTKDM4ENPC1ALDH1A1 | |
| SCHEMBL11220472 | 0.86 | NPSR1 (0.47) | NPSR1HTTKDM4ENPC1ALDH1A1 | |
| SCHEMBL11220495 | 0.84 | NPSR1 (0.45) | NPSR1HTTKDM4ENPC1ALDH1A1 | |
| SCHEMBL11325054 | 0.84 | NPSR1 (0.39) | NPSR1HTTKDM4ENPC1ALDH1A1 | |
| SCHEMBL11311686 | 0.83 | PTGIR (0.41) | NPSR1HTTKDM4ENPC1ALDH1A1 | |
| SCHEMBL11317151 | 0.82 | NPC1 (0.39) | NPSR1KDM4ENPC1RAB9ASMN1; SMN2 | |
| SCHEMBL11116763 | 0.81 | HDAC6 (0.43) | NPSR1HTTKDM4ENPC1ALDH1A1 | |
| SCHEMBL11321942 | 0.79 | PTGIR (0.39) | NPSR1HTTKDM4ENPC1ALDH1A1 | |
| SCHEMBL10660695 | 0.78 | BACE1 (0.52) | NPC1ALDH1A1SMN1; SMN2AGERMEN1 | |
| SCHEMBL11222132 | 0.77 | ITGB3 (0.44) | NPSR1ALDH1A1 |
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 |