Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MGLL | Q99685 | 1/20 | 0.43 |
| ▸ | NQO2 | P16083 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | RAB9A | P51151 | 3/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.35 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | RPS6KB2 | Q9UBS0 | 3/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | MGAM | O43451 | 1/20 | 0.33 |
| ▸ | SI | P14410 | 1/20 | 0.33 |
| ▸ | MGAM2 | Q2M2H8 | 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 | |
|---|---|---|---|---|
| SCHEMBL27197247 | 1.00 | MGLL (0.43) | MGLLNQO2CA1CA2NPC1 | |
| SCHEMBL728572 | 0.79 | ALDH1A1 (0.48) | CA1CA2NPC1MAPTRAB9A | |
| SCHEMBL22712581 | 0.76 | PIK3CA (0.59) | MAPTSMN1; SMN2ALDH1A1PKMHPGD | |
| SCHEMBL23803957 | 0.76 | GAA (0.62) | NQO2NPC1MAPTRAB9ASMN1; SMN2 | |
| SCHEMBL9764769 | 0.75 | SMN1; SMN2 (0.65) | NPC1MAPTRAB9ASMN1; SMN2TP53 | |
| SCHEMBL29951157 | 0.74 | HTT (0.58) | CA1CA2MAPTL3MBTL1GAA | |
| SCHEMBL29956381 | 0.74 | CA2 (0.54) | CA1CA2NPC1MAPTRAB9A | |
| SCHEMBL30241094 | 0.74 | SMN1; SMN2 (0.36) | MGLLNQO2CA1CA2NPC1 | |
| SCHEMBL31506589 | 0.73 | DYRK1A (0.49) | CA2NPC1RAB9ASMN1; SMN2HSD17B10 | |
| SCHEMBL29956863 | 0.73 | DYRK1A (0.54) | NPC1RAB9ASMN1; SMN2TP53ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113004261-B | Compound containing multi-heterocyclic structure and application thereof | 北京云基科技股份有限公司 | 2023-02-17 | — | — | CN | disclosed |
| CN-114068841-A | Organic light emitting element comprising a capping layer | 东进世美肯株式会社 | 2022-02-18 | — | — | CN | disclosed |