Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 1/20 | 0.61 |
| ▸ | RAB9A | P51151 | 5/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.57 |
| ▸ | NPC1 | O15118 | 4/20 | 0.57 |
| ▸ | ACHE | P22303 | 1/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | HTT | P42858 | 2/20 | 0.55 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.50 |
| ▸ | CXCR5 | P32302 | 1/20 | 0.50 |
| ▸ | APLNR | P35414 | 1/20 | 0.50 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.50 |
| ▸ | CCR6 | P51684 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL22594369 | 0.82 | NPC1 (0.60) | RAB9ASMN1; SMN2NPC1ACHEHTT | |
| SCHEMBL22594332 | 0.80 | NPC1 (0.59) | RAB9ASMN1; SMN2NPC1L3MBTL1HTT | |
| SCHEMBL24474000 | 0.80 | NPC1 (0.61) | GSK3BRAB9ASMN1; SMN2NPC1ALDH1A1 | |
| SCHEMBL6676849 | 0.77 | GSK3B (0.65) | GSK3BRAB9ASMN1; SMN2NPC1ACHE | |
| SCHEMBL22594370 | 0.76 | SMN1; SMN2 (0.62) | RAB9ASMN1; SMN2NPC1L3MBTL1ALDH1A1 | |
| SCHEMBL455366 | 0.76 | GSK3B (1.00) | GSK3BRAB9ASMN1; SMN2NPC1ACHE | |
| SCHEMBL46426 | 0.75 | NPC1 (1.00) | RAB9ASMN1; SMN2NPC1ALDH1A1KDM4E | |
| SCHEMBL10969002 | 0.73 | NPC1 (0.61) | RAB9ASMN1; SMN2NPC1ALDH1A1KDM4E | |
| SCHEMBL29011089 | 0.73 | GSK3B (0.59) | GSK3BRAB9ASMN1; SMN2NPC1ACHE | |
| SCHEMBL28823005 | 0.73 | KDM4E (0.83) | RAB9ASMN1; SMN2L3MBTL1ALDH1A1HTT |
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-8088793-B2 | Certain chemical entities, compositions, and methods | CYTOKINETICS, INC. (US) | 2012-01-03 | — | — | US | disclosed |