Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRMT5 | O14744 | 2/20 | 0.50 |
| ▸ | HMOX1 | P09601 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | F2 | P00734 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL1699310 | 0.82 | NPC1 (0.59) | PRMT5NPC1RAB9AL3MBTL1PKM | |
| SCHEMBL1699530 | 0.74 | CYP1A2 (0.45) | HMOX1NPC1RAB9AL3MBTL1HRH3 | |
| SCHEMBL1699268 | 0.69 | MAOB (0.43) | HMOX1NPC1RAB9AL3MBTL1HRH3 | |
| SCHEMBL28068238 | 0.69 | ADORA3 (0.57) | NPC1RAB9AL3MBTL1SMN1; SMN2ALDH1A1 | |
| SCHEMBL1699548 | 0.69 | NPC1 (0.59) | PRMT5NPC1RAB9AL3MBTL1PKM | |
| SCHEMBL8713816 | 0.67 | ADORA2B (0.50) | TSHRKMT2AMEN1ADORA3ADORA2B | |
| SCHEMBL1699470 | 0.67 | NPC1 (0.54) | PRMT5NPC1RAB9AL3MBTL1PKM | |
| SCHEMBL1699315 | 0.67 | NPC1 (0.50) | PRMT5NPC1RAB9AL3MBTL1PKM | |
| SCHEMBL9126862 | 0.67 | AGTR2 (0.63) | — | |
| SCHEMBL21951965 | 0.66 | ALDH1A1 (0.56) | ALDH1A1LMNAKMT2AHPGDNPSR1 |
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 |