Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | TDP2 | O95551 | 1/20 | 0.40 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.40 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.40 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.40 |
| ▸ | XDH | P47989 | 1/20 | 0.39 |
| ▸ | CTSV | O60911 | 1/20 | 0.38 |
| ▸ | CTSL | P07711 | 1/20 | 0.38 |
| ▸ | NOX4 | Q9NPH5 | 1/20 | 0.38 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.38 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.38 |
| ▸ | PRKDC | P78527 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9981622 | 0.84 | NPC1 (0.58) | NPC1RAB9AL3MBTL1PKMSMN1; SMN2 | |
| SCHEMBL1699170 | 0.83 | ESR1 (0.42) | TDP2MEN1KMT2A | |
| SCHEMBL1699188 | 0.82 | NPC1 (0.48) | NPC1RAB9AL3MBTL1PKMSMN1; SMN2 | |
| SCHEMBL1699125 | 0.79 | NPC1 (0.56) | NPC1RAB9AL3MBTL1PKMSMN1; SMN2 | |
| SCHEMBL24270839 | 0.75 | L3MBTL1 (0.52) | NPC1RAB9AL3MBTL1PKMSMN1; SMN2 | |
| SCHEMBL1699185 | 0.73 | NPC1 (0.50) | NPC1RAB9AL3MBTL1PKMSMN1; SMN2 | |
| SCHEMBL1699174 | 0.72 | NPC1 (0.51) | NPC1RAB9AL3MBTL1PKMSMN1; SMN2 | |
| SCHEMBL21295567 | 0.72 | NTRK1 (0.66) | NPC1RAB9AL3MBTL1PKMSMN1; SMN2 | |
| SCHEMBL1699242 | 0.72 | L3MBTL1 (0.56) | NPC1RAB9AL3MBTL1PKMSMN1; SMN2 | |
| SCHEMBL1699258 | 0.71 | L3MBTL1 (0.55) | NPC1RAB9AL3MBTL1PKMSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011163355-A1 | FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-12-29 | — | — | WO | disclosed |