Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
| ▸ | NOS3 | P29474 | 1/20 | 0.30 |
| ▸ | NOS2 | P35228 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL19337495 | 0.65 | NOS3 (0.30) | NOS3NOS2 | |
| SCHEMBL15871032 | 0.60 | — | — | |
| SCHEMBL19288057 | 0.60 | — | — | |
| SCHEMBL77219 | 0.57 | — | — | |
| SCHEMBL15980335 | 0.56 | NPC1 (0.35) | ALDH1A1MAPTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL910149 | 0.56 | — | — | |
| SCHEMBL24633545 | 0.55 | DRD4 (0.36) | — | |
| SCHEMBL15980341 | 0.55 | NPC1 (0.30) | ALDH1A1MAPTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL15980344 | 0.55 | HAVCR2 (0.36) | — | |
| SCHEMBL14303654 | 0.55 | NOS3 (0.33) | NOS3NOS2 |
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-2010056717-A1 | SUBSTITUTED BICYCLIC AMINES FOR THE TREATMENT OF DIABETES | MERCK SHARP & DOHME CORP. (US) | 2010-05-20 | — | — | WO | disclosed |