Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 9/20 | 0.49 |
| ▸ | NPC1 | O15118 | 7/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | XBP1 | P17861 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.46 |
| ▸ | NPBWR1 | P48145 | 5/20 | 0.43 |
| ▸ | MCHR1 | Q99705 | 4/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | XDH | P47989 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | FLT3 | P36888 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL19121077 | 0.85 | ALDH1A1 (0.43) | ALDH1A1KMT2ASMN1; SMN2CYP1A2LMNA | |
| SCHEMBL9026138 | 0.84 | RAB9A (0.49) | ALDH1A1KMT2ARAB9ANPC1SMN1; SMN2 | |
| SCHEMBL9026522 | 0.82 | FLT3 (0.40) | ALDH1A1KMT2ARAB9ANPC1SMN1; SMN2 | |
| SCHEMBL19120598 | 0.80 | NPBWR1 (0.49) | ALDH1A1KMT2ARAB9ASMN1; SMN2CYP1A2 | |
| SCHEMBL23749804 | 0.79 | RAB9A (0.49) | ALDH1A1KMT2ARAB9ANPC1SMN1; SMN2 | |
| SCHEMBL19119864 | 0.77 | CYP3A4 (0.35) | ALDH1A1KMT2ARAB9ANPC1SMN1; SMN2 | |
| SCHEMBL23400559 | 0.76 | RAB9A (0.46) | ALDH1A1KMT2ARAB9ANPC1SMN1; SMN2 | |
| SCHEMBL27544115 | 0.75 | ALDH1A1 (0.47) | ALDH1A1KMT2ARAB9ANPC1SMN1; SMN2 | |
| SCHEMBL9026151 | 0.74 | GRM1 (0.46) | ALDH1A1CYP1A2CYP3A4HTTL3MBTL1 | |
| SCHEMBL13897152 | 0.73 | SMN1; SMN2 (0.46) | ALDH1A1KMT2ARAB9ANPC1SMN1; SMN2 |
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-3400220-B1 | PYRAZOLE DERIVATIVES | HUA MEDICINE SHANGHAI LTD (CN) | 2021-03-24 | — | — | EP | disclosed |