Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL18428002 | 0.88 | IDO1 (0.44) | CYP3A4ALDH1A1SMN1; SMN2MAPTALOX15 | |
| SCHEMBL19715008 | 0.88 | IDO1 (0.44) | CYP3A4ALDH1A1SMN1; SMN2MAPTALOX15 | |
| SCHEMBL16970727 | 0.88 | IDO1 (0.44) | CYP3A4ALDH1A1SMN1; SMN2MAPTALOX15 | |
| SCHEMBL18268263 | 0.83 | LMNA (0.34) | CYP3A4ALDH1A1SMN1; SMN2MAPTALOX15 | |
| SCHEMBL16970782 | 0.76 | LMNA (0.45) | CYP3A4ALDH1A1SMN1; SMN2MAPTALOX15 | |
| SCHEMBL16970784 | 0.74 | GAA (0.46) | ALDH1A1SMN1; SMN2MAPTLMNAMEN1 | |
| SCHEMBL16970734 | 0.74 | AAK1 (0.40) | ALDH1A1SMN1; SMN2MAPTLMNAKDM4E | |
| SCHEMBL17868343 | 0.74 | AAK1 (0.40) | SMN1; SMN2MAPTLMNAHDAC2HDAC3 | |
| SCHEMBL28515384 | 0.74 | AAK1 (0.40) | ALDH1A1SMN1; SMN2MAPTLMNAKDM4E | |
| SCHEMBL28515383 | 0.74 | AAK1 (0.40) | ALDH1A1SMN1; SMN2MAPTLMNAKDM4E |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160346240-A1 | METHODS OF CHEMOTHERAPY USING CHEMOTHERAPEUTIC AGENTS BASED ON BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS | QUADRIGA BIOSCIENCES, INC. | 2016-12-01 | — | — | 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-20160346240-A1 | METHODS OF CHEMOTHERAPY USING CHEMOTHERAPEUTIC AGENTS BASED ON BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS | BCAT1, CDC25C, BCAT2 | CYP3A4 3139/4885ALDH1A1 688/4885SMN1; SMN2 2370/4885 |
“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.