Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.58 |
| ▸ | RAB9A | P51151 | 3/20 | 0.58 |
| ▸ | MEN1 | O00255 | 2/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.58 |
| ▸ | CA12 | O43570 | 1/20 | 0.55 |
| ▸ | CA9 | Q16790 | 1/20 | 0.55 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.47 |
| ▸ | JMJD6 | Q6NYC1 | 1/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.45 |
| ▸ | PADI4 | Q9UM07 | 1/20 | 0.44 |
| ▸ | NAMPT | P43490 | 1/20 | 0.44 |
| ▸ | CTSD | P07339 | 3/20 | 0.42 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL30158985 | 0.87 | NPC1 (0.61) | NPC1RAB9AMEN1KMT2ACA12 | |
| SCHEMBL30159104 | 0.84 | MEN1 (0.53) | NPC1RAB9AMEN1KMT2ABCAT2 | |
| SCHEMBL29876885 | 0.83 | CA12 (0.61) | NPC1RAB9AMEN1KMT2ACA12 | |
| SCHEMBL30159055 | 0.82 | CA12 (0.47) | NPC1RAB9AMEN1KMT2ACA12 | |
| SCHEMBL30158798 | 0.81 | PADI4 (0.49) | NPC1RAB9AMEN1KMT2ACA12 | |
| SCHEMBL30158779 | 0.76 | FGFR1 (0.55) | NPC1RAB9AMEN1KMT2ACA12 | |
| Trifluoroacetic Acid SCHEMBL30158966 | 0.76 | PADI4 (0.45) | NPC1RAB9AMEN1KMT2APADI4 | |
| SCHEMBL12354513 | 0.75 | CA12 (0.66) | NPC1RAB9AMEN1KMT2ACA12 | |
| SCHEMBL30159013 | 0.75 | CA12 (0.51) | NPC1RAB9AMEN1KMT2ACA12 | |
| SCHEMBL30159003 | 0.75 | NPC1 (0.53) | NPC1RAB9AMEN1KMT2ACA12 |
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-115551862-A | Macrocyclic inhibitors of peptidyl arginine deiminase | 吉利德科学公司 | 2022-12-30 | — | — | CN | disclosed |