Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRSS1 | P07477 | 4/20 | 0.53 |
| ▸ | PRSS2 | P07478 | 4/20 | 0.53 |
| ▸ | PRSS3 | P35030 | 4/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | KDM1A | O60341 | 2/20 | 0.43 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | HTR1D | P28221 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | RARA | P10276 | 1/20 | 0.39 |
| ▸ | RARB | P10826 | 1/20 | 0.39 |
| ▸ | RARG | P13631 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | CASP3 | P42574 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL16742350 | 0.94 | PRSS1 (0.51) | PRSS1PRSS2PRSS3TSHRKDM1A | |
| SCHEMBL31474283 | 0.87 | TSHR (0.51) | PRSS1PRSS2PRSS3TSHRKDM1A | |
| SCHEMBL16742265 | 0.79 | ALDH1A1 (0.47) | PRSS1PRSS2PRSS3KDM1ARARA | |
| SCHEMBL13738033 | 0.75 | PRSS1 (0.47) | PRSS1PRSS2PRSS3 | |
| SCHEMBL16659190 | 0.74 | CYP3A4 (0.44) | PRSS1PRSS2PRSS3 | |
| SCHEMBL2111114 | 0.72 | PRSS1 (0.64) | PRSS1PRSS2PRSS3 | |
| SCHEMBL30219292 | 0.71 | KDM1A (0.62) | TSHRKDM1A | |
| SCHEMBL28157952 | 0.71 | TSHR (0.51) | TSHRKDM1AHTR1AHTR1DHTR2C | |
| SCHEMBL30353220 | 0.71 | RARA (0.54) | TSHRKDM1ARARARARBRARG | |
| SCHEMBL28347731 | 0.71 | RARA (0.54) | TSHRKDM1ARARARARBRARG |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111601790-B | Heteroaryl compounds as protein kinase inhibitors | 福建海西新药创制股份有限公司 | 2023-03-31 | — | — | CN | claimed |
| EP-3749646-B1 | HETEROARYL COMPOUNDS AS KINASE INHIBITOR | FUJIAN HAIXI PHARMACEUTICALS CO LTD (CN) | 2022-04-06 | — | — | EP | claimed |
| CN-116715625-A | Heteroaryl compounds as protein kinase inhibitors | 福建海西新药创制股份有限公司 | 2023-09-08 | — | — | CN | disclosed |
| CN-111601790-B | Heteroaryl compounds as protein kinase inhibitors | 福建海西新药创制股份有限公司 | 2023-03-31 | — | — | CN | disclosed |