Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 2/20 | 0.46 |
| ▸ | ERBB2 | P04626 | 2/20 | 0.46 |
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.44 |
| ▸ | LMNA | P02545 | 4/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.44 |
| ▸ | THPO | P40225 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.44 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL18428058 | 1.00 | EGFR (0.46) | EGFRERBB2IDO1SMN1; SMN2LMNA | |
| SCHEMBL18427942 | 0.77 | CTSS (0.39) | EGFRERBB2SMN1; SMN2LMNAHDAC4 | |
| SCHEMBL18428012 | 0.77 | LTA4H (0.44) | IDO1SMN1; SMN2LMNACYP3A4ALDH1A1 | |
| SCHEMBL19715004 | 0.77 | LTA4H (0.44) | IDO1SMN1; SMN2LMNACYP3A4ALDH1A1 | |
| SCHEMBL18428056 | 0.75 | CYP3A4 (0.44) | IDO1SMN1; SMN2LMNACYP3A4ALDH1A1 | |
| SCHEMBL18427948 | 0.74 | IDO1 (0.57) | EGFRERBB2IDO1SMN1; SMN2LMNA | |
| SCHEMBL18427979 | 0.74 | IDO1 (0.57) | EGFRERBB2IDO1SMN1; SMN2LMNA | |
| SCHEMBL19714971 | 0.74 | IDO1 (0.57) | EGFRERBB2IDO1SMN1; SMN2LMNA | |
| SCHEMBL11284424 | 0.74 | SMN1; SMN2 (0.37) | EGFRERBB2IDO1SMN1; SMN2LMNA | |
| SCHEMBL16971084 | 0.72 | GABBR2 (0.55) | EGFRERBB2IDO1SMN1; SMN2LMNA |
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-108026026-B | Beta-substituted beta-amino acids and analogs as chemotherapeutic agents and uses thereof | 夸德里加生物科学公司 | 2021-02-09 | — | — | CN | disclosed |
| US-10017459-B2 | β-substituted β-amino acids and analogs as chemotherapeutic agents and uses thereof | QUADRIGA BIOSCIENCES, INC. (US) | 2018-07-10 | — | — | US | disclosed |
| US-20170362166-A1 | BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS AND USES THEREOF | QUADRIGA BIOSCIENCES, INC. | 2017-12-21 | — | — | 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 (2 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-10017459-B2 | β-substituted β-amino acids and analogs as chemotherapeutic agents and uses thereof | SLC7A1, SLC3A2, SLC43A1 | EGFR 1355/4885ERBB2 1099/4885IDO1 1311/4885 |
| US-20170362166-A1 | BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS AND USES THEREOF | SLC3A2, SLC7A1, SLC43A1 | EGFR 1560/4885ERBB2 1169/4885IDO1 1294/4885 |
“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.