Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 3/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.34 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 3/20 | 0.33 |
| ▸ | PKM | P14618 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | XBP1 | P17861 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 4/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL28515394 | 1.00 | AAK1 (0.36) | AAK1ATMCYP2D6ALDH1A1ABCB1 | |
| SCHEMBL28518467 | 0.95 | LMNA (0.34) | AAK1ATMCYP2D6ALDH1A1ABCB1 | |
| SCHEMBL16974968 | 0.92 | ATM (0.38) | AAK1ATMALDH1A1GAAPKM | |
| SCHEMBL18427995 | 0.92 | ATM (0.38) | AAK1ATMALDH1A1GAAPKM | |
| SCHEMBL16970635 | 0.91 | LMNA (0.36) | AAK1ATMCYP2D6ALDH1A1ABCB1 | |
| SCHEMBL16970593 | 0.91 | AAK1 (0.38) | AAK1ATMCYP2D6ALDH1A1ABCB1 | |
| SCHEMBL28524688 | 0.91 | AAK1 (0.38) | AAK1ATMCYP2D6ALDH1A1ABCB1 | |
| SCHEMBL28524714 | 0.91 | LMNA (0.36) | AAK1ATMCYP2D6ALDH1A1ABCB1 | |
| SCHEMBL28520990 | 0.91 | LMNA (0.36) | AAK1ATMCYP2D6ALDH1A1ABCB1 | |
| SCHEMBL28514892 | 0.88 | CACNA1B (0.37) | AAK1ATMCYP2D6ABCB1PAX8 |
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 | AAK1 1370/4885ATM 3249/4885CYP2D6 2253/4885 |
“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.