Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | CRHBP | P24387 | 1/20 | 0.38 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 5/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.37 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28531220 | 0.84 | NOTUM (0.43) | LMNAALDH1A1POLBNOTUM | |
| SCHEMBL23159542 | 0.79 | LMNA (0.41) | LMNAALDH1A1ALOX15TSHRMAPK1 | |
| SCHEMBL23152151 | 0.78 | UCHL1 (0.47) | LMNAALDH1A1MAPK1HSD17B10KDM4E | |
| SCHEMBL23159527 | 0.77 | KDM4E (0.40) | LMNAALDH1A1ALOX15TSHRMAPK1 | |
| SCHEMBL28305009 | 0.74 | NOD2 (0.66) | LMNAALDH1A1TSHRHTTKDM4E | |
| SCHEMBL16473015 | 0.73 | NOD2 (0.55) | LMNAALDH1A1ALOX15TSHRMAPK1 | |
| SCHEMBL21295092 | 0.73 | ALDH1A1 (0.43) | ALDH1A1ALOX15TSHRMAPK1HTT | |
| SCHEMBL23159530 | 0.73 | NOTUM (0.33) | MAPK1NOTUM | |
| SCHEMBL18940620 | 0.73 | ELANE (0.46) | ALDH1A1KDM4ECRHBPCRHR2SMN1; SMN2 | |
| SCHEMBL18940603 | 0.73 | ROCK2 (0.40) | ALDH1A1ALOX15TSHRMAPK1HTT |
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-112574230-B | Peptidyl arginine deiminase inhibitors and uses thereof | 药捷安康(南京)科技股份有限公司 | 2022-10-28 | — | — | CN | disclosed |
| WO-2021057910-A1 | PEPTIDYLARGININE DEIMINASE INHIBITOR AND USE THEREOF | 南京药捷安康生物科技有限公司 | 2021-04-01 | — | — | WO | disclosed |