Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | MAP3K7 | O43318 | 1/20 | 0.38 |
| ▸ | TAB1 | Q15750 | 1/20 | 0.38 |
| ▸ | TYR | P14679 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA7 | P43166 | 1/20 | 0.37 |
| ▸ | XDH | P47989 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL20358098 | 0.87 | TTR (0.46) | ALDH1A1CYP3A4LMNANOTUMGAA | |
| SCHEMBL18993985 | 0.80 | ALDH1A1 (0.40) | ALDH1A1HPGDTSHRCYP1A2CYP3A4 | |
| SCHEMBL16971191 | 0.78 | NOTUM (0.42) | ALDH1A1HPGDCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL16971192 | 0.78 | NOTUM (0.42) | ALDH1A1HPGDCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL28658533 | 0.77 | ALDH1A1 (0.47) | ALDH1A1HPGDTSHRLMNAGAA | |
| SCHEMBL28658531 | 0.77 | ALDH1A1 (0.47) | ALDH1A1HPGDTSHRLMNAGAA | |
| SCHEMBL26935691 | 0.76 | ALDH1A1 (0.44) | ALDH1A1HPGDTSHRCYP2C9LMNA | |
| SCHEMBL24538243 | 0.75 | ALDH1A1 (0.46) | ALDH1A1HPGDCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL21821449 | 0.74 | DPP4 (0.44) | ALDH1A1CYP3A4NOTUMMAPTCA12 | |
| SCHEMBL28656283 | 0.74 | ESR1 (0.46) | ALDH1A1HPGDTSHRCYP3A4TYR |
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-9937139-B2 | β-substituted γ-amino acids and analogs as chemotherapeutic agents | QUADRIGA BIOSCIENCES, INC. (US) | 2018-04-10 | — | — | US | disclosed |
| US-20170246135-A1 | BETA-SUBSTITUTED GAMMA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS | QUADRIGA BIOSCIENCES, INC. | 2017-08-31 | — | — | 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-20170246135-A1 | BETA-SUBSTITUTED GAMMA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS | SLC3A2, SLC7A1, SLC43A1 | ALDH1A1 632/4885HPGD 3661/4885TSHR 3050/4885 |
“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.