Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.59 |
| ▸ | RAB9A | P51151 | 5/20 | 0.59 |
| ▸ | PKM | P14618 | 2/20 | 0.59 |
| ▸ | POLB | P06746 | 2/20 | 0.48 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | ESR1 | P03372 | 1/20 | 0.43 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.43 |
| ▸ | APEX1 | P27695 | 1/20 | 0.43 |
| ▸ | PTPN7 | P35236 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10086533 | 0.87 | NPC1 (0.53) | NPC1RAB9APKMPOLBGAA | |
| SCHEMBL10086551 | 0.85 | NPC1 (0.45) | NPC1RAB9APKMPOLBGAA | |
| SCHEMBL10086218 | 0.85 | KMT2A (0.64) | NPC1RAB9APKMPOLBGAA | |
| SCHEMBL10085914 | 0.82 | NPC1 (0.56) | NPC1RAB9APKMGAAKMT2A | |
| SCHEMBL2192236 | 0.82 | NPC1 (0.59) | NPC1RAB9APKMPOLBGAA | |
| SCHEMBL10085800 | 0.82 | NPC1 (0.59) | NPC1RAB9APKMPOLBGAA | |
| SCHEMBL10086209 | 0.81 | NPC1 (0.44) | NPC1RAB9APKMGAAKMT2A | |
| SCHEMBL10086415 | 0.81 | NPC1 (0.58) | NPC1RAB9APKMPOLBGAA | |
| SCHEMBL10085507 | 0.81 | NPC1 (0.58) | NPC1RAB9APKMPOLBGAA | |
| SCHEMBL1468548 | 0.80 | NPC1 (0.68) | NPC1RAB9APKMPOLBGAA |
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 |