Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 3/20 | 0.36 |
| ▸ | CTSK | P43235 | 3/20 | 0.36 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | KCNQ4 | P56696 | 3/20 | 0.34 |
| ▸ | KCNQ5 | Q9NR82 | 3/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL17868343 | 0.83 | AAK1 (0.40) | CTSSCTSKAAK1LMNASMN1; SMN2 | |
| SCHEMBL18428019 | 0.83 | AAK1 (0.40) | CTSSCTSKAAK1LMNASMN1; SMN2 | |
| SCHEMBL28515384 | 0.81 | AAK1 (0.40) | CTSSCTSKAAK1LMNASMN1; SMN2 | |
| SCHEMBL16970734 | 0.81 | AAK1 (0.40) | CTSSCTSKAAK1LMNASMN1; SMN2 | |
| SCHEMBL28515383 | 0.81 | AAK1 (0.40) | CTSSCTSKAAK1LMNASMN1; SMN2 | |
| SCHEMBL16970640 | 0.80 | LMNA (0.40) | CTSSCTSKLMNASMN1; SMN2MAPT | |
| SCHEMBL16970592 | 0.79 | LMNA (0.36) | CTSSCTSKLMNASMN1; SMN2MAPT | |
| SCHEMBL16970603 | 0.76 | LMNA (0.37) | CTSSCTSKAAK1LMNASMN1; SMN2 | |
| SCHEMBL16970796 | 0.73 | LMNA (0.34) | LMNASMN1; SMN2MAPTCA2KMT2A | |
| SCHEMBL16979717 | 0.73 | LMNA (0.32) | AAK1LMNASMN1; SMN2MAPTKCNQ4 |
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 | CTSS 3271/4885CTSK 3916/4885AAK1 1370/4885 |
“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.