Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 15/20 | 0.63 |
| ▸ | HTT | P42858 | 15/20 | 0.63 |
| ▸ | NPC1 | O15118 | 10/20 | 0.63 |
| ▸ | SMN1; SMN2 | Q16637 | 9/20 | 0.63 |
| ▸ | MITF | O75030 | 7/20 | 0.63 |
| ▸ | RAB9A | P51151 | 13/20 | 0.61 |
| ▸ | NPSR1 | Q6W5P4 | 11/20 | 0.61 |
| ▸ | LMNA | P02545 | 10/20 | 0.61 |
| ▸ | S1PR4 | O95977 | 5/20 | 0.61 |
| ▸ | S1PR1 | P21453 | 5/20 | 0.61 |
| ▸ | S1PR2 | O95136 | 3/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.61 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.61 |
| ▸ | HPGD | P15428 | 2/20 | 0.61 |
| ▸ | PKM | P14618 | 2/20 | 0.61 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.61 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.61 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.61 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.61 |
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 | |
|---|---|---|---|---|
| SCHEMBL9236925 | 0.86 | ALDH1A1 (0.47) | ALDH1A1HTTNPC1SMN1; SMN2MITF | |
| SCHEMBL1372817 | 0.77 | HTT (0.56) | ALDH1A1HTTNPC1SMN1; SMN2MITF | |
| SCHEMBL9232257 | 0.76 | RAB9A (0.43) | ALDH1A1HTTNPC1SMN1; SMN2MITF | |
| SCHEMBL9235308 | 0.75 | NPC1 (0.65) | ALDH1A1HTTNPC1SMN1; SMN2MITF | |
| SCHEMBL24779604 | 0.74 | ALDH1A1 (0.68) | ALDH1A1HTTNPC1SMN1; SMN2MITF | |
| SCHEMBL31735821 | 0.72 | ALDH1A1 (0.54) | ALDH1A1HTTNPC1SMN1; SMN2MITF | |
| SCHEMBL2895158 | 0.72 | ALDH1A1 (0.61) | ALDH1A1HTTNPC1SMN1; SMN2MITF | |
| SCHEMBL9827518 | 0.72 | ALDH1A1 (0.57) | ALDH1A1HTTNPC1SMN1; SMN2MITF | |
| SCHEMBL9372672 | 0.72 | HTT (0.60) | ALDH1A1HTTNPC1SMN1; SMN2MITF | |
| SCHEMBL24779602 | 0.72 | ALDH1A1 (0.64) | ALDH1A1HTTNPC1SMN1; SMN2MITF |
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 |
|---|---|---|---|---|---|---|---|
| EP-0665223-A1 | Antitumor agent, novel 3(2H)-pyridazinone derivatives and their preparation | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1995-08-02 | — | — | EP | disclosed |