Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.68 |
| ▸ | NPC1 | O15118 | 1/20 | 0.66 |
| ▸ | TSHR | P16473 | 3/20 | 0.64 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.64 |
| ▸ | HTT | P42858 | 4/20 | 0.60 |
| ▸ | GAA | P10253 | 4/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.60 |
| ▸ | MAPT | P10636 | 3/20 | 0.60 |
| ▸ | LMNA | P02545 | 2/20 | 0.60 |
| ▸ | POLB | P06746 | 1/20 | 0.58 |
| ▸ | THRB | P10828 | 1/20 | 0.57 |
| ▸ | HPGD | P15428 | 3/20 | 0.54 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | GFER | P55789 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL13993248 | 0.86 | ALDH1A1 (0.70) | ALDH1A1NPC1TSHRMAPK1HTT | |
| SCHEMBL11334221 | 0.82 | ALDH1A1 (0.70) | ALDH1A1NPC1TSHRMAPK1HTT | |
| SCHEMBL13993246 | 0.79 | NPC1 (1.00) | ALDH1A1NPC1TSHRMAPK1HTT | |
| SCHEMBL5004947 | 0.78 | THRB (0.69) | ALDH1A1NPC1TSHRMAPK1HTT | |
| SCHEMBL5004946 | 0.75 | THRB (0.56) | ALDH1A1NPC1TSHRMAPK1HTT | |
| SCHEMBL5000991 | 0.74 | HTT (0.49) | ALDH1A1NPC1TSHRMAPK1HTT | |
| SCHEMBL5007960 | 0.74 | HPGD (0.49) | ALDH1A1NPC1TSHRMAPK1HTT | |
| SCHEMBL5009780 | 0.73 | ALDH1A1 (0.78) | ALDH1A1NPC1TSHRMAPK1HTT | |
| SCHEMBL11793679 | 0.73 | MEN1 (0.55) | ALDH1A1NPC1MAPK1HTTGAA | |
| SCHEMBL13576515 | 0.71 | HPGD (1.00) | ALDH1A1TSHRMAPK1HTTGAA |
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-7465730-B2 | Treatment of neuropathic pain with 6H-pyrrolo[3,4-d]pyridazine compounds | MERCK & CO. INC. (US) | 2008-12-16 | — | — | US | disclosed |