Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 12/20 | 0.43 |
| ▸ | RAB9A | P51151 | 12/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 8/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | PKM | P14618 | 3/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | DHFR | P00374 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.41 |
| ▸ | RELA | Q04206 | 2/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL30259035 | 0.79 | NPC1 (0.60) | NPC1RAB9ASMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL29372526 | 0.79 | RAB9A (0.45) | NPC1RAB9ASMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL31000291 | 0.78 | NPC1 (0.43) | NPC1RAB9ASMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL1289974 | 0.76 | NPC1 (0.62) | NPC1RAB9ASMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL20550714 | 0.75 | NPC1 (0.43) | NPC1RAB9ASMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL10647023 | 0.74 | NPC1 (0.56) | NPC1RAB9ASMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL24574498 | 0.73 | L3MBTL1 (0.39) | SMN1; SMN2MAPK1CYP1A2L3MBTL1POLB | |
| SCHEMBL161950 | 0.73 | RAB9A (0.49) | NPC1RAB9ASMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL3317159 | 0.73 | NPC1 (0.57) | NPC1RAB9ASMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL2079329 | 0.73 | PTGS1 (0.45) | NPC1RAB9ASMN1; SMN2KDM4EALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022026935-A1 | MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF | CHILDREN'S HOSPITAL MEDICAL CENTER (US) | 2022-02-03 | — | — | WO | disclosed |