Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.51 |
| ▸ | RAB9A | P51151 | 4/20 | 0.51 |
| ▸ | PKM | P14618 | 3/20 | 0.51 |
| ▸ | TP53 | P04637 | 2/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | PGR | P06401 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.51 |
| ▸ | DRD1 | P21728 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.51 |
| ▸ | RELA | Q04206 | 1/20 | 0.51 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.51 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL10113062 | 0.91 | NPC1 (0.51) | NPC1RAB9APKMTP53SMN1; SMN2 | |
| SCHEMBL10085852 | 0.89 | NPC1 (0.51) | NPC1RAB9APKMTP53SMN1; SMN2 | |
| SCHEMBL10132211 | 0.89 | TP53 (0.47) | NPC1RAB9APKMTP53SMN1; SMN2 | |
| SCHEMBL549670 | 0.88 | NPC1 (0.50) | NPC1RAB9APKMTP53SMN1; SMN2 | |
| SCHEMBL549162 | 0.88 | TP53 (0.50) | NPC1RAB9APKMTP53SMN1; SMN2 | |
| SCHEMBL10085867 | 0.87 | SMN1; SMN2 (0.49) | NPC1RAB9APKMTP53SMN1; SMN2 | |
| SCHEMBL10086514 | 0.86 | NPC1 (0.48) | NPC1RAB9APKMTP53SMN1; SMN2 | |
| SCHEMBL10085779 | 0.86 | TP53 (0.48) | NPC1RAB9APKMTP53SMN1; SMN2 | |
| SCHEMBL10085480 | 0.85 | TP53 (0.47) | NPC1RAB9APKMTP53SMN1; SMN2 | |
| SCHEMBL10085861 | 0.85 | TP53 (0.47) | NPC1RAB9APKMTP53SMN1; SMN2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8110681-B2 | Compounds for the treatment of spinal muscular atrophy and other uses | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2012-02-07 | — | — | US | disclosed |
| US-8110681-B2 | Compounds for the treatment of spinal muscular atrophy and other uses | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2012-02-07 | — | — | US | disclosed |