Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | PDE10A | Q9Y233 | 4/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
| ▸ | LATS1 | O95835 | 1/20 | 0.36 |
| ▸ | LATS2 | Q9NRM7 | 1/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.35 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.35 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.35 |
| ▸ | GPBAR1 | Q8TDU6 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | CASP3 | P42574 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL10271357 | 0.82 | HDAC1 (0.36) | PDE10AHDAC3HDAC1HDAC2 | |
| SCHEMBL14911919 | 0.80 | PDE10A (0.38) | PDE10ALATS1LATS2HDAC3HDAC1 | |
| SCHEMBL538491 | 0.77 | GPBAR1 (0.54) | KCNH2PDE10AGPBAR1CYSLTR2CYSLTR1 | |
| Bromide SCHEMBL27600369 | 0.75 | GPBAR1 (0.52) | KCNH2PDE10AGPBAR1ALDH1A1MEN1 | |
| Hydrochloric Acid SCHEMBL27600363 | 0.75 | GPBAR1 (0.52) | KCNH2PDE10AGPBAR1ALDH1A1MEN1 | |
| SCHEMBL23554874 | 0.74 | CCR1 (0.48) | PDE10ALATS1LATS2HDAC3HDAC1 | |
| SCHEMBL29550107 | 0.74 | CCR1 (0.48) | PDE10ALATS1LATS2HDAC3HDAC1 | |
| SCHEMBL1161576 | 0.74 | PDE3B (0.36) | PDE10AHDAC3HDAC1HDAC2ALDH1A1 | |
| SCHEMBL10910525 | 0.74 | GPBAR1 (0.51) | KCNH2PDE10AGPBAR1ALDH1A1MEN1 | |
| SCHEMBL7512301 | 0.73 | CCNC (0.44) | CYSLTR2CYSLTR1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104870459-B | Metal complex | 默克专利有限公司 | 2018-06-26 | — | — | CN | disclosed |
| CN-104870459-A | Metal complexes | MERCK PATENT GMBH | 2015-08-26 | — | — | CN | disclosed |
| CN-104870458-A | Metal complexes | MERCK PATENT GMBH | 2015-08-26 | — | — | CN | disclosed |