Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.35 |
| ▸ | PLAU | P00749 | 1/20 | 0.34 |
| ▸ | NCF1 | P14598 | 1/20 | 0.34 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.33 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | NFKBIA | P25963 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 4/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.32 |
| ▸ | NPC1 | O15118 | 3/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4728487 | 0.80 | MAPT (0.38) | CYP2C19CYP3A4CYP2C9ALDH1A1SMN1; SMN2 | |
| SCHEMBL4729614 | 0.75 | IDO1 (0.43) | PLAUNCF1ALDH1A1SMN1; SMN2MEN1 | |
| SCHEMBL5084174 | 0.73 | CYP1A2 (0.36) | CYP2D6CYP2C19CYP1A2CYP3A4ALDH1A1 | |
| SCHEMBL441572 | 0.71 | NFKBIA (0.52) | CYP2D6CYP2C19CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL11690033 | 0.70 | MEN1 (0.44) | CYP2D6CYP2C19CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL12120522 | 0.70 | NCF1 (0.45) | CYP2D6CYP2C19CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL2269444 | 0.69 | NPC1 (0.50) | CYP1A2CYP11B1CYP11B2ALDH1A1SMN1; SMN2 | |
| SCHEMBL11545623 | 0.68 | NCF1 (0.39) | CYP2D6CYP2C19CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL4729566 | 0.68 | NFKBIA (0.41) | CYP2D6CYP2C19CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL11544082 | 0.67 | NCF1 (0.38) | CYP2D6CYP2C19CYP1A2CYP3A4CYP2C9 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008021210-A2 | METHODS AND COMPOSITIONS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS | COMBINATORX, INCORPORATED (US) | 2008-02-21 | — | — | WO | disclosed |
| US-20080044390-A1 | Methods and compositions for the treatment of neurodegenerative disorders | CHDI, INCORPORATED | 2008-02-21 | — | — | US | disclosed |
| US-6979740-B2 | Process for preparation of ring-substituted 8-aminoquinoline analogs as antimalarial agents | NATIONAL INSTITUTE OF PHARMACEUTICAL EDUCATION AND RESEARCH (IN) | 2005-12-27 | — | — | US | disclosed |
| EP-1606263-A1 | RING-SUBSTITUTED 8-AMINOQUINOLINE DERIVATIVES AS ANTIMALARIAL AGENTS | Council of Scientific and Industrial Research (IN) | 2005-12-21 | — | — | EP | disclosed |
| WO-2004085402-A1 | RING-SUBSTITUTED 8-AMINOQUNOLINE DERIVATES AS ANTIMALARIAL AGENTS | COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) | 2004-10-07 | — | — | WO | disclosed |
| US-20040192724-A1 | Process for preparation of ring-substituted 8-aminoquinoline analogs as antimalarial agents | NATIONAL INSTITUTE OF PHARMACEUTICAL EDUCATION AND RESEARCH DEPARTMENT OF PHARMACEUTICAL TECHNOLOGY (IN) | 2004-09-30 | — | — | 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-20040192724-A1 | Process for preparation of ring-substituted 8-aminoquinoline analogs as antimalarial agents | QDPR, SLC11A2, CYP2C8 | CYP2D6 363/4885CYP2C19 305/4885CYP1A2 66/4885 |
| US-20080044390-A1 | Methods and compositions for the treatment of neurodegenerative disorders | HTT, SNCA, NLN | CYP2D6 4707/4885CYP2C19 4721/4885CYP1A2 4587/4885 |
“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.