Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | F2R | P25116 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | PIN1 | Q13526 | 2/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9980956 | 0.76 | KDM4E (0.44) | NPC1KDM4EHSD17B10ALDH1A1TP53 | |
| SCHEMBL23123437 | 0.76 | SMN1; SMN2 (0.45) | NPC1KDM4EHSD17B10ALDH1A1TP53 | |
| SCHEMBL1701488 | 0.75 | PIN1 (0.38) | NPC1KDM4EHSD17B10ALDH1A1TP53 | |
| SCHEMBL1701344 | 0.74 | BRD4 (0.44) | NPC1KDM4EALDH1A1TP53HPGD | |
| SCHEMBL9981197 | 0.74 | F11 (0.43) | NPC1KDM4EALDH1A1TP53RAB9A | |
| SCHEMBL14889062 | 0.72 | KDM4E (0.39) | NPC1KDM4EHSD17B10ALDH1A1TP53 | |
| SCHEMBL4321671 | 0.68 | GPR119 (0.47) | — | |
| SCHEMBL4577155 | 0.68 | GPR119 (0.47) | — | |
| SCHEMBL5953265 | 0.67 | KDM4E (0.55) | NPC1KDM4EHSD17B10RECQLALDH1A1 | |
| SCHEMBL23122597 | 0.67 | NPC1 (0.39) | NPC1KDM4EHSD17B10ALDH1A1TP53 |
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 |