Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 5/20 | 0.47 |
| ▸ | NPC1 | O15118 | 4/20 | 0.47 |
| ▸ | MAPT | P10636 | 4/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | KAT2B | Q92831 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28538491 | 0.87 | NPC1 (0.62) | RAB9ANPC1MAPTSMN1; SMN2KAT2B | |
| SCHEMBL29154843 | 0.80 | RAB9A (0.56) | RAB9ANPC1MAPTSMN1; SMN2KAT2B | |
| SCHEMBL30317060 | 0.79 | KAT2B (0.63) | RAB9ANPC1MAPTSMN1; SMN2KAT2B | |
| SCHEMBL28690767 | 0.77 | LMNA (0.38) | RAB9ANPC1MAPTKMT2AMEN1 | |
| SCHEMBL28666324 | 0.77 | KAT2B (0.42) | RAB9ANPC1MAPTSMN1; SMN2KAT2B | |
| SCHEMBL28682484 | 0.74 | LMNA (0.45) | RAB9ANPC1MAPTSMN1; SMN2KAT2B | |
| SCHEMBL28720510 | 0.74 | PKM (0.65) | RAB9ANPC1MAPTSMN1; SMN2KMT2A | |
| SCHEMBL20578371 | 0.74 | MEN1 (0.52) | NPC1MAPTSMN1; SMN2KMT2AMEN1 | |
| SCHEMBL30163655 | 0.73 | NPC1 (0.49) | RAB9ANPC1MAPTSMN1; SMN2KAT2B | |
| SCHEMBL28523832 | 0.70 | LMNA (0.44) | RAB9ANPC1SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117561262-A | Macrocyclic TAK1 inhibitors | 阿奎利恩有限公司 | 2024-02-13 | — | — | CN | disclosed |