Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.50 |
| ▸ | BRD4 | O60885 | 1/20 | 0.45 |
| ▸ | RORC | P51449 | 4/20 | 0.45 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.44 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.44 |
| ▸ | SGMS2 | Q8NHU3 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.44 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.44 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.44 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.44 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.43 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | TOP2A | P11388 | 1/20 | 0.43 |
| ▸ | TOP2B | Q02880 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL23970799 | 1.00 | CYP2C9 (0.50) | CYP2C9PTGER1BRD4RORCCYP11B1 | |
| SCHEMBL4032867 | 0.80 | NPC1 (0.57) | CYP2C9PTGER1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL10152859 | 0.80 | ALDH1A1 (0.57) | CYP2C9PTGER1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL20400859 | 0.80 | NPC1 (0.51) | CYP2C9PTGER1CYP11B1CYP11B2SGMS2 | |
| SCHEMBL18888156 | 0.80 | CYP2C9 (0.46) | CYP2C9PTGER1BRD4SMN1; SMN2NPC1 | |
| SCHEMBL28950632 | 0.79 | CYP2C9 (0.46) | CYP2C9PTGER1BRD4SMN1; SMN2NPC1 | |
| SCHEMBL13007025 | 0.79 | TOP2A (0.50) | CYP2C9PTGER1BRD4SGMS2SMN1; SMN2 | |
| SCHEMBL30158816 | 0.79 | CYP2C9 (0.46) | CYP2C9PTGER1BRD4SMN1; SMN2NPC1 | |
| SCHEMBL7342794 | 0.79 | BRD4 (0.68) | CYP2C9PTGER1BRD4SGMS2NPC1 | |
| SCHEMBL5235275 | 0.79 | BCHE (0.50) | CYP2C9PTGER1SMN1; SMN2NPC1RAB9A |
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 |