Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.51 |
| ▸ | RAB9A | P51151 | 3/20 | 0.51 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.45 |
| ▸ | MCHR1 | Q99705 | 5/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.40 |
| ▸ | NCF1 | P14598 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL19901540 | 0.88 | PDE10A (0.49) | PTGDR2MCHR1KDM4EMAPTLMNA | |
| SCHEMBL8871879 | 0.81 | PTGDR2 (0.64) | NPC1RAB9APTGDR2KDM4EMAPT | |
| SCHEMBL19901542 | 0.81 | KMT2A (0.48) | NPC1RAB9AMCHR1KDM4EMAPT | |
| SCHEMBL8869916 | 0.79 | NPC1 (0.52) | NPC1RAB9APTGDR2MCHR1KDM4E | |
| SCHEMBL8871046 | 0.78 | MAPT (0.67) | NPC1RAB9AKDM4EMAPTLMNA | |
| SCHEMBL2850710 | 0.76 | MCHR1 (0.59) | NPC1RAB9AMCHR1KDM4EMAPT | |
| SCHEMBL19901063 | 0.75 | MCHR1 (0.41) | NPC1RAB9AMCHR1LMNAALDH1A1 | |
| SCHEMBL10019487 | 0.70 | NPC1 (0.49) | NPC1RAB9APTGDR2KDM4EMAPT | |
| SCHEMBL22672489 | 0.70 | PARP1 (0.45) | KDM4ELMNAALDH1A1HPGD | |
| SCHEMBL8127612 | 0.69 | ALDH1A1 (0.72) | KDM4EMAPTLMNANPSR1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-9902710-B2 | Substituted 6, 7-dialkoxy-3-isoquinoline derivatives as inhibitors of phosphodiesterase 10 (PDE 10A) | EXONHIT THERAPEUTICS, SA (FR) | 2018-02-27 | — | — | US | disclosed |