Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | GAA | P10253 | 3/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.39 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.39 |
| ▸ | CTSK | P43235 | 4/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29488655 | 0.86 | GAA (0.43) | KMT2AMEN1GAAHTTMAPT | |
| SCHEMBL29488649 | 0.85 | MAPT (0.40) | GAAHTTMAPTPOLBCYP1A2 | |
| SCHEMBL29488638 | 0.80 | NPBWR1 (0.39) | KMT2AMEN1HTTMAPTSMN1; SMN2 | |
| SCHEMBL29488642 | 0.79 | THRA (0.52) | KMT2ACTSK | |
| SCHEMBL11278909 | 0.73 | KMT2A (0.58) | KMT2AMEN1GAAHTTMAPT | |
| SCHEMBL11519772 | 0.71 | KMT2A (0.55) | KMT2AMEN1GAAHTTMAPT | |
| SCHEMBL29488641 | 0.70 | PTGDR2 (0.36) | KMT2AMEN1MAPTPOLBCYP1A2 | |
| SCHEMBL11283109 | 0.69 | KMT2A (0.56) | KMT2AMEN1GAAHTTMAPT | |
| SCHEMBL11274219 | 0.68 | KMT2A (0.58) | KMT2AMEN1GAAHTTMAPT | |
| SCHEMBL29488647 | 0.68 | THRA (0.32) | — |
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-2022068915-A1 | 6-OXO-1,6-DIHYDROPYRIDAZIN DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF IN MEDICINE | 江苏恒瑞医药股份有限公司 | 2022-04-07 | — | — | WO | disclosed |