Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.57 |
| ▸ | HPGD | P15428 | 3/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.49 |
| ▸ | HTT | P42858 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL8266888 | 0.84 | ALDH1A1 (0.62) | ALDH1A1HPGDMAPK1CYP2C9HSD17B10 | |
| SCHEMBL4705592 | 0.84 | KDM4E (0.62) | ALDH1A1HPGDMAPK1CYP2C9LMNA | |
| SCHEMBL15840964 | 0.76 | GAA (0.57) | ALDH1A1HPGDMAPK1CYP2C9HSD17B10 | |
| SCHEMBL14479261 | 0.76 | ALDH1A1 (0.49) | ALDH1A1HPGDMAPK1CYP2C9HSD17B10 | |
| SCHEMBL8684133 | 0.74 | ALDH1A1 (0.47) | ALDH1A1HPGDMAPK1CYP2C9HSD17B10 | |
| SCHEMBL19375412 | 0.73 | ATM (0.71) | ALDH1A1HPGDMAPK1HSD17B10SMN1; SMN2 | |
| SCHEMBL7464093 | 0.71 | MAPK1 (0.57) | ALDH1A1HPGDMAPK1SMN1; SMN2LMNA | |
| SCHEMBL8439255 | 0.70 | KDM4E (0.70) | ALDH1A1HPGDMAPK1CYP2C9HSD17B10 | |
| SCHEMBL20725308 | 0.70 | ALDH1A1 (0.62) | ALDH1A1HPGDMAPK1CYP2C9HSD17B10 | |
| SCHEMBL21389539 | 0.70 | ALDH1A1 (0.62) | ALDH1A1HPGDMAPK1CYP2C9HSD17B10 |
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-10335413-B2 | Substituted xanthine derivatives | CONCERT PHARMACEUTICALS, INC. (US) | 2019-07-02 | — | — | US | disclosed |
| US-9918987-B2 | Substituted xanthine derivatives | CONCERT PHARMACEUTICALS, INC. (US) | 2018-03-20 | — | — | 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-10335413-B2 | Substituted xanthine derivatives | XDH, HPRT1, CXCR3 | ALDH1A1 699/4885HPGD 245/4885MAPK1 2773/4885 |
“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.