Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 6/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 6/20 | 0.44 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.43 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.43 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.43 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.43 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.42 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL23616006 | 0.83 | MAPT (0.41) | HDAC1HDAC6ROCK1NR1H4HDAC3 | |
| SCHEMBL28595864 | 0.76 | ROCK1 (0.47) | HDAC1HDAC6ROCK1MCHR1NPC1 | |
| SCHEMBL5300837 | 0.73 | ACKR3 (0.42) | HDAC1HDAC6ROCK1HDAC3MCHR1 | |
| SCHEMBL5121399 | 0.73 | TRPM8 (0.54) | MEN1KMT2ANPC1RAB9ASMN1; SMN2 | |
| SCHEMBL20742852 | 0.72 | BCL2L1 (0.40) | ROCK1MCHR1NPC1RAB9ALMNA | |
| SCHEMBL5332700 | 0.71 | TSHR (0.56) | L3MBTL1MEN1KMT2ATMEM97SIGMAR1 | |
| SCHEMBL250873 | 0.70 | PLAAT3 (0.58) | KMT2ANPC1RAB9AALDH1A1SMN1; SMN2 | |
| SCHEMBL30941107 | 0.70 | NPC1 (0.62) | MEN1KMT2ANPC1RAB9AALDH1A1 | |
| SCHEMBL2415459 | 0.70 | STAT3 (0.51) | ROCK1MCHR1MEN1KMT2AALDH1A1 | |
| SCHEMBL11884007 | 0.70 | REN (0.57) | HDAC1HDAC6HDAC3HDAC7HDAC10 |
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-113121443-B | Beta-amino acid derivatives, kinase inhibitors and pharmaceutical compositions containing them and their use | 财团法人工业技术研究院 | 2024-07-09 | — | — | CN | disclosed |
| US-11608319-B2 | Beta-amino acid derivative, kinase inhibitor and pharmaceutical composition containing the same, and method for performing an in vivo related application that benefits from the inhibition of a kinase | INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) | 2023-03-21 | — | — | US | disclosed |
| EP-3845276-A1 | SS-AMINO ACID DERIVATIVE, KINASE INHIBITOR AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME, AND USE OF THE SAME | Industrial Technology Research Institute (TW) | 2021-07-07 | — | — | EP | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-11608319-B2 | Beta-amino acid derivative, kinase inhibitor and pharmaceutical composition containing the same, and method for performing an in vivo related application that benefits from the inhibition of a kinase | CSNK1A1, CSNK1D, CSNK1G3 | HDAC1 981/4885HDAC6 1952/4885ROCK1 716/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.