Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 7/20 | 0.62 |
| ▸ | MEN1 | O00255 | 5/20 | 0.62 |
| ▸ | NPC1 | O15118 | 4/20 | 0.62 |
| ▸ | RAB9A | P51151 | 4/20 | 0.62 |
| ▸ | GAA | P10253 | 1/20 | 0.60 |
| ▸ | MAPT | P10636 | 3/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.56 |
| ▸ | TP53 | P04637 | 1/20 | 0.56 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.56 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | CTSA | P10619 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL14974267 | 1.00 | KMT2A (0.62) | KMT2AMEN1NPC1RAB9AGAA | |
| SCHEMBL14974553 | 0.89 | KMT2A (0.61) | KMT2AMEN1NPC1RAB9AGAA | |
| SCHEMBL518662 | 0.88 | KMT2A (0.48) | KMT2AMEN1NPC1RAB9AGAA | |
| SCHEMBL14973946 | 0.87 | KMT2A (0.60) | KMT2AMEN1NPC1RAB9AGAA | |
| SCHEMBL519330 | 0.86 | MAPK1 (0.49) | KMT2AMEN1NPC1RAB9AGAA | |
| SCHEMBL8370906 | 0.86 | KMT2A (0.52) | KMT2AMEN1NPC1RAB9AGAA | |
| SCHEMBL518563 | 0.82 | KMT2A (0.57) | KMT2AMEN1NPC1RAB9AGAA | |
| SCHEMBL519514 | 0.82 | PDE10A (0.53) | KMT2AMEN1NPC1RAB9AGAA | |
| SCHEMBL14974158 | 0.82 | KMT2A (0.54) | KMT2AMEN1NPC1RAB9AGAA | |
| SCHEMBL20239610 | 0.81 | KMT2A (0.70) | KMT2AMEN1NPC1RAB9AGAA |
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 |
|---|---|---|---|---|---|---|---|
| EP-2748158-B1 | RADIOLABELED COMPOUNDS AND THEIR USE AS RADIOTRACERS FOR QUANTITATIVE IMAGING OF PHOSPHODIESTERASE (PDE10A) IN MAMMALS | TAKEDA PHARMACEUTICALS CO (JP) | 2018-01-24 | — | — | EP | disclosed |