Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | PLK1 | P53350 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.36 |
| ▸ | MEN1 | O00255 | 4/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | ELANE | P08246 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
| ▸ | CASP7 | P55210 | 1/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL22158726 | 0.94 | ALDH1A1 (0.41) | ALOX15HTTPLK1ALDH1A1KMT2A | |
| SCHEMBL28310442 | 0.78 | ALDH1A1 (0.42) | ALOX15HTTPLK1ALDH1A1KMT2A | |
| SCHEMBL3697154 | 0.77 | PARP1 (0.47) | ALOX15HTTPLK1ALDH1A1KMT2A | |
| SCHEMBL29496262 | 0.73 | POLB (0.43) | ALOX15HTTPLK1ALDH1A1KMT2A | |
| SCHEMBL30694972 | 0.73 | ERN1 (0.33) | ALOX15HTTPLK1ALDH1A1KMT2A | |
| SCHEMBL15880060 | 0.71 | NOTUM (0.47) | ALDH1A1KMT2AMEN1POLBMAPT | |
| Quinoline SCHEMBL4721637 | 0.70 | ALDH1A1 (0.74) | ALOX15HTTPLK1ALDH1A1KMT2A | |
| Quinoline SCHEMBL29354528 | 0.70 | ALDH1A1 (0.74) | ALOX15HTTPLK1ALDH1A1KMT2A | |
| Quinoline SCHEMBL28096081 | 0.70 | ALDH1A1 (0.74) | ALOX15HTTPLK1ALDH1A1KMT2A | |
| SCHEMBL10772643 | 0.69 | ALDH1A1 (0.43) | ALOX15HTTALDH1A1KMT2AMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109641898-B | 5, 7-dihydro-pyrrolo-pyridine derivatives for the treatment of neurological and neurodegenerative diseases | 辉瑞公司 | 2022-04-08 | — | — | CN | disclosed |