Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 12/20 | 0.76 |
| ▸ | NPC1 | O15118 | 11/20 | 0.76 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.76 |
| ▸ | PKM | P14618 | 4/20 | 0.76 |
| ▸ | MEN1 | O00255 | 7/20 | 0.71 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.71 |
| ▸ | MAOB | P27338 | 1/20 | 0.69 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.69 |
| ▸ | TP53 | P04637 | 1/20 | 0.69 |
| ▸ | LMNA | P02545 | 1/20 | 0.68 |
| ▸ | MAPT | P10636 | 1/20 | 0.68 |
| ▸ | IRAK4 | Q9NWZ3 | 3/20 | 0.67 |
| ▸ | USP2 | O75604 | 1/20 | 0.65 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.64 |
| ▸ | SCD | O00767 | 1/20 | 0.63 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.63 |
| ▸ | KLF5 | Q13887 | 1/20 | 0.63 |
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 | |
|---|---|---|---|---|
| SCHEMBL11703862 | 0.91 | NPC1 (0.83) | RAB9ANPC1SMN1; SMN2PKMMEN1 | |
| SCHEMBL22193346 | 0.86 | RAB9A (1.00) | RAB9ANPC1SMN1; SMN2PKMMEN1 | |
| SCHEMBL11703126 | 0.86 | NPC1 (0.79) | RAB9ANPC1SMN1; SMN2PKMMEN1 | |
| SCHEMBL20063047 | 0.85 | NPC1 (0.73) | RAB9ANPC1SMN1; SMN2PKMMEN1 | |
| SCHEMBL8558926 | 0.85 | RAB9A (0.81) | RAB9ANPC1SMN1; SMN2PKMMEN1 | |
| SCHEMBL20096879 | 0.82 | AKR1C3 (0.75) | RAB9ANPC1SMN1; SMN2PKMMEN1 | |
| SCHEMBL3926899 | 0.82 | NPC1 (1.00) | RAB9ANPC1SMN1; SMN2PKMMEN1 | |
| SCHEMBL2248250 | 0.82 | NPC1 (1.00) | RAB9ANPC1SMN1; SMN2PKMMEN1 | |
| SCHEMBL7348401 | 0.82 | NPC1 (0.73) | RAB9ANPC1SMN1; SMN2PKMMEN1 | |
| SCHEMBL13076211 | 0.82 | NPC1 (0.73) | RAB9ANPC1SMN1; SMN2PKMMEN1 |
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-117561262-A | Macrocyclic TAK1 inhibitors | 阿奎利恩有限公司 | 2024-02-13 | — | — | CN | disclosed |
| WO-2023275199-A1 | MACROCYCLIC TAK1 INHIBITORS | AQILION AB (SE) | 2023-01-05 | — | — | WO | disclosed |