Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | HPGD | P15428 | 4/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 5/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.36 |
| ▸ | USP2 | O75604 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.33 |
| ▸ | PDE4A | P27815 | 2/20 | 0.33 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.33 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9871763 | 0.98 | ALDH1A1 (0.35) | ALDH1A1HPGDKDM4EMAPTNPSR1 | |
| SCHEMBL9871542 | 0.87 | ALDH1A1 (0.39) | ALDH1A1HPGDKDM4EMAPTNPSR1 | |
| Hydrochloric Acid SCHEMBL9872400 | 0.85 | ALDH1A1 (0.39) | ALDH1A1HPGDKDM4EMAPTNPSR1 | |
| SCHEMBL10964096 | 0.81 | SMN1; SMN2 (0.39) | ALDH1A1NPSR1GAAUSP2HTT | |
| SCHEMBL1205824 | 0.74 | CHRM3 (0.37) | CHRM3PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL1204356 | 0.73 | — | — | |
| SCHEMBL9871084 | 0.73 | APP (0.37) | ALDH1A1HPGDKDM4EMAPTNPSR1 | |
| Bromide SCHEMBL1204101 | 0.72 | — | — | |
| SCHEMBL9871963 | 0.70 | HTT (0.40) | ALDH1A1HPGDKDM4EMAPTNPSR1 | |
| SCHEMBL9872179 | 0.70 | MAPT (0.33) | ALDH1A1HPGDKDM4EMAPTNPSR1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5011835-A | Substituted triazolopyridazines, pharmaceutical compositions and use | MERRELL DOW PHARMACEUTICALS INC. (US) | 1991-04-30 | — | — | US | claimed |
| US-5011835-A | Substituted triazolopyridazines, pharmaceutical compositions and use | MERRELL DOW PHARMACEUTICALS INC. (US) | 1991-04-30 | — | — | US | disclosed |