Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.70 |
| ▸ | NPC1 | O15118 | 1/20 | 0.68 |
| ▸ | TSHR | P16473 | 3/20 | 0.66 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.66 |
| ▸ | GAA | P10253 | 3/20 | 0.62 |
| ▸ | MAPT | P10636 | 3/20 | 0.62 |
| ▸ | HTT | P42858 | 3/20 | 0.62 |
| ▸ | LMNA | P02545 | 2/20 | 0.62 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.62 |
| ▸ | POLB | P06746 | 1/20 | 0.59 |
| ▸ | THRB | P10828 | 1/20 | 0.59 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL13993247 | 0.86 | ALDH1A1 (0.68) | ALDH1A1NPC1TSHRMAPK1GAA | |
| SCHEMBL11334221 | 0.83 | ALDH1A1 (0.70) | ALDH1A1NPC1TSHRMAPK1GAA | |
| SCHEMBL13993246 | 0.81 | NPC1 (1.00) | ALDH1A1NPC1TSHRMAPK1GAA | |
| SCHEMBL5004947 | 0.76 | THRB (0.69) | ALDH1A1NPC1TSHRMAPK1GAA | |
| SCHEMBL5004946 | 0.73 | THRB (0.56) | ALDH1A1NPC1TSHRMAPK1GAA | |
| SCHEMBL15332031 | 0.73 | ALDH1A1 (0.49) | ALDH1A1NPC1TSHRMAPK1GAA | |
| SCHEMBL10372395 | 0.73 | NOTUM (0.75) | ALDH1A1NPC1TSHRMAPK1GAA | |
| SCHEMBL11796475 | 0.72 | MAPT (0.58) | ALDH1A1NPC1GAAMAPTHTT | |
| SCHEMBL23245849 | 0.70 | ALDH1A1 (0.49) | ALDH1A1NPC1TSHRMAPK1GAA | |
| SCHEMBL20213731 | 0.70 | NPC1 (0.69) | ALDH1A1NPC1TSHRMAPK1GAA |
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 |