Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.37 |
| ▸ | HPGD | P15428 | 4/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | KCNK3 | O14649 | 2/20 | 0.34 |
| ▸ | KCNK9 | Q9NPC2 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | APAF1 | O14727 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | TDP2 | O95551 | 1/20 | 0.34 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | XBP1 | P17861 | 1/20 | 0.34 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.34 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6644077 | 0.73 | GAA (0.41) | ALDH1A1HPGDSMN1; SMN2KCNK3KCNK9 | |
| SCHEMBL6669045 | 0.69 | RAB9A (0.40) | ALDH1A1HPGDKDM4EMAPTAPAF1 | |
| SCHEMBL5168742 | 0.69 | KCNK3 (0.46) | KCNK3KCNK9KDM4EMAPTAPAF1 | |
| SCHEMBL5170120 | 0.66 | KCNK3 (0.40) | ALDH1A1HPGDKCNK3KCNK9KDM4E | |
| SCHEMBL6276288 | 0.59 | PSEN1 (0.49) | MAPK1CYP1A2TRPM8 | |
| SCHEMBL5164734 | 0.58 | GAA (0.46) | ALDH1A1SMN1; SMN2KDM4EMAPTNPC1 | |
| SCHEMBL14685163 | 0.57 | ALDH1A1 (0.41) | ALDH1A1HPGDSMN1; SMN2KDM4EMAPT | |
| SCHEMBL5168739 | 0.57 | ALDH1A1 (0.43) | ALDH1A1SMN1; SMN2KDM4EMAPTAPAF1 | |
| SCHEMBL6644557 | 0.56 | ALDH1A1 (0.42) | ALDH1A1HPGDSMN1; SMN2KCNK3KCNK9 | |
| SCHEMBL5168319 | 0.55 | MAPT (0.40) | ALDH1A1HPGDKDM4EMAPTAPAF1 |
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-1218382-B1 | BICYCLIC IMIDAZO-3-YL-AMINE DERIVATIVES | GRUENENTHAL GMBH (DE) | 2004-01-28 | — | — | EP | claimed |