Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIN1 | Q13526 | 4/20 | 0.38 |
| ▸ | NPC1 | O15118 | 3/20 | 0.37 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | ASAH1 | Q13510 | 1/20 | 0.35 |
| ▸ | F11 | P03951 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL23123437 | 0.83 | SMN1; SMN2 (0.45) | NPC1KDM4EHSD17B10SMN1; SMN2ALDH1A1 | |
| SCHEMBL9981197 | 0.83 | F11 (0.43) | PIN1NPC1KDM4ESMN1; SMN2ALDH1A1 | |
| SCHEMBL1701344 | 0.81 | BRD4 (0.44) | NPC1KDM4ESMN1; SMN2ALDH1A1TP53 | |
| SCHEMBL9980956 | 0.79 | KDM4E (0.44) | NPC1KDM4EHSD17B10SMN1; SMN2ALDH1A1 | |
| SCHEMBL14889062 | 0.77 | KDM4E (0.39) | NPC1KDM4EHSD17B10SMN1; SMN2ALDH1A1 | |
| SCHEMBL1701343 | 0.75 | NPC1 (0.41) | PIN1NPC1KDM4EHSD17B10SMN1; SMN2 | |
| SCHEMBL29745103 | 0.73 | TSHR (0.49) | NPC1KDM4EHSD17B10SMN1; SMN2ALDH1A1 | |
| SCHEMBL23124272 | 0.73 | TSHR (0.49) | NPC1KDM4EHSD17B10SMN1; SMN2ALDH1A1 | |
| SCHEMBL4321671 | 0.73 | GPR119 (0.47) | — | |
| SCHEMBL4577155 | 0.73 | GPR119 (0.47) | — |
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 |