Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 4/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.40 |
| ▸ | DAO | P14920 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.40 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | SMAD3 | P84022 | 1/20 | 0.38 |
| ▸ | EIF4A3 | P38919 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | F7 | P08709 | 1/20 | 0.37 |
| ▸ | F3 | P13726 | 1/20 | 0.37 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL23159586 | 0.80 | MMP13 (0.50) | HPGDKDM4EHSD17B10MAPTALOX15 | |
| SCHEMBL1244814 | 0.72 | GRN (0.42) | HPGDKDM4EHSD17B10DAOMAPT | |
| SCHEMBL23115857 | 0.72 | TSHR (0.39) | TSHRHPGDKDM4EHSD17B10GPR35 | |
| SCHEMBL1244057 | 0.71 | HSD17B10 (0.49) | TSHRHPGDKDM4EHSD17B10DAO | |
| SCHEMBL28541739 | 0.69 | NPBWR1 (0.46) | MAPTALDH1A1MEN1KMT2A | |
| SCHEMBL15889708 | 0.68 | GRIN2D (0.36) | HPGDKDM4EHSD17B10ALDH1A1 | |
| SCHEMBL31460581 | 0.65 | TSHR (0.39) | TSHRPIN1HPGDKDM4EHSD17B10 | |
| SCHEMBL17130070 | 0.65 | HTR2A (0.40) | — | |
| SCHEMBL17130150 | 0.65 | NR3C1 (0.37) | TSHRPIN1KDM4EGPR35NFKB1 | |
| SCHEMBL17277747 | 0.63 | TTR (0.43) | TSHRSRD5A2ALOX15MEN1KMT2A |
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 |
| CN-112574230-A | Peptidyl arginine deiminase inhibitors and uses thereof | 南京药捷安康生物科技有限公司 | 2021-03-30 | — | — | CN | disclosed |