Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KLK5 | Q9Y337 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 4/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | CA7 | P43166 | 2/20 | 0.35 |
| ▸ | CA4 | P22748 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.33 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.32 |
| ▸ | THPO | P40225 | 2/20 | 0.32 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.32 |
| ▸ | GMNN | O75496 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL16970637 | 0.90 | LMNA (0.35) | KLK5LMNAIDO1CA1CA2 | |
| SCHEMBL18427932 | 0.90 | KLK5 (0.37) | KLK5LMNAIDO1CA1CA2 | |
| SCHEMBL16970645 | 0.89 | IDO1 (0.37) | KLK5LMNAIDO1CA1CA2 | |
| SCHEMBL16970601 | 0.86 | LMNA (0.33) | KLK5LMNAIDO1CA1CA2 | |
| SCHEMBL16970591 | 0.83 | AAK1 (0.36) | LMNAIDO1SMN1; SMN2AAK1KMT2A | |
| SCHEMBL16970795 | 0.82 | CA1 (0.34) | KLK5LMNAIDO1CA1CA2 | |
| SCHEMBL28523122 | 0.82 | CYP2D6 (0.37) | KLK5LMNACA1CA2CA7 | |
| SCHEMBL28523121 | 0.82 | CYP2D6 (0.37) | KLK5LMNACA1CA2CA7 | |
| SCHEMBL16970685 | 0.81 | CA1 (0.35) | KLK5CA1CA2CA7CA4 | |
| SCHEMBL16970739 | 0.80 | CA1 (0.37) | KLK5LMNACA1CA2CA7 |
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 |
|---|---|---|---|---|---|---|---|
| US-9394237-B2 | β-substituted β-amino acids and analogs as chemotherapeutic agents | QUADRIGA BIOSCIENCES, INC. (US) | 2016-07-19 | — | — | US | disclosed |
| US-20150218086-A1 | BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS | QUADRIGA BIOSCIENCES, INC. | 2015-08-06 | — | — | US | 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-20150218086-A1 | BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS | SLC7A1, SLC3A2, SLC1A5 | KLK5 4599/4885LMNA 3813/4885IDO1 1381/4885 |
“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.