Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.33 |
| ▸ | CTSG | P08311 | 2/20 | 0.33 |
| ▸ | CTRB1 | P17538 | 2/20 | 0.33 |
| ▸ | CMA1 | P23946 | 2/20 | 0.33 |
| ▸ | SMYD2 | Q9NRG4 | 2/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.32 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28950772 | 0.87 | CYP3A4 (0.35) | CYP3A4HTTSMN1; SMN2PRSS1CTSG | |
| SCHEMBL28950487 | 0.84 | TRPA1 (0.38) | CYP3A4HTTSMN1; SMN2SMYD2HDAC4 | |
| SCHEMBL28950485 | 0.84 | TRPA1 (0.38) | CYP3A4HTTSMN1; SMN2SMYD2HDAC4 | |
| SCHEMBL14254923 | 0.82 | LTB4R (0.37) | CYP3A4HTTSMN1; SMN2SMYD2HDAC4 | |
| SCHEMBL14596703 | 0.81 | AAK1 (0.36) | CYP3A4HTTSMN1; SMN2SMYD2HDAC4 | |
| SCHEMBL28950526 | 0.81 | GPR84 (0.43) | CYP3A4HTTSMN1; SMN2SMYD2 | |
| SCHEMBL28950527 | 0.81 | GPR84 (0.43) | CYP3A4HTTSMN1; SMN2SMYD2 | |
| SCHEMBL28950723 | 0.80 | LTB4R (0.36) | CYP3A4HTTSMN1; SMN2SMYD2L3MBTL1 | |
| SCHEMBL21685664 | 0.80 | AAK1 (0.38) | CYP3A4HTTSMN1; SMN2SMYD2AAK1 | |
| SCHEMBL21685663 | 0.80 | AAK1 (0.38) | CYP3A4HTTSMN1; SMN2SMYD2AAK1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115551862-B | Macrocyclic inhibitors of peptidyl arginine deiminase | 吉利德科学公司 | 2024-04-12 | — | — | CN | disclosed |
| EP-4143189-A1 | MACROCYCLIC INHIBITORS OF PEPTIDYLARGININE DEIMINASES | GILEAD SCIENCES, INC. (US) | 2023-03-08 | — | — | EP | disclosed |
| CN-115551862-A | Macrocyclic inhibitors of peptidyl arginine deiminase | 吉利德科学公司 | 2022-12-30 | — | — | CN | disclosed |