Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.37 |
| ▸ | RAB9A | P51151 | 5/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.37 |
| ▸ | PKM | P14618 | 3/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.36 |
| ▸ | RELA | Q04206 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | NTRK1 | P04629 | 3/20 | 0.34 |
| ▸ | NTRK2 | Q16620 | 3/20 | 0.34 |
| ▸ | NTRK3 | Q16288 | 2/20 | 0.34 |
| ▸ | IGF1R | P08069 | 2/20 | 0.34 |
| ▸ | FGFR1 | P11362 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1699226 | 0.85 | ALDH1A1 (0.35) | NPC1RAB9AALDH1A1SMN1; SMN2PKM | |
| SCHEMBL9982230 | 0.75 | SMN1; SMN2 (0.38) | NPC1RAB9AALDH1A1SMN1; SMN2PKM | |
| SCHEMBL1699210 | 0.74 | DRD1 (0.38) | ALDH1A1PKMMEN1KMT2ATSHR | |
| SCHEMBL1699077 | 0.72 | MAP3K11 (0.39) | ALDH1A1MAPK1KDM4ELMNAMEN1 | |
| SCHEMBL9981884 | 0.71 | GSK3B (0.38) | NPC1RAB9AALDH1A1SMN1; SMN2PKM | |
| SCHEMBL1699363 | 0.71 | KDM4C (0.39) | — | |
| SCHEMBL14889112 | 0.70 | DRD1 (0.38) | ALDH1A1LMNAMEN1KMT2ATSHR | |
| SCHEMBL9981087 | 0.70 | SMN1; SMN2 (0.36) | NPC1RAB9AALDH1A1SMN1; SMN2PKM | |
| SCHEMBL10431770 | 0.67 | KDM4E (0.64) | NPC1RAB9AALDH1A1SMN1; SMN2PKM | |
| SCHEMBL8813974 | 0.67 | PTGS1 (0.49) | NPC1RAB9AALDH1A1SMN1; SMN2PKM |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2585462-A1 | FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS | Takeda Pharmaceutical Company Limited (JP) | 2013-05-01 | — | — | EP | disclosed |
| WO-2011163355-A1 | FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-12-29 | — | — | WO | disclosed |