Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.34 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | CCR6 | P51684 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | MMP2 | P08253 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL987821 | 1.00 | ALDH1A1 (0.44) | ALDH1A1KDM4ECYP3A4CYP2C9CYP2C19 | |
| SCHEMBL12923939 | 0.90 | CYP3A4 (0.40) | ALDH1A1KDM4ECYP3A4CYP2C9CYP2C19 | |
| SCHEMBL988232 | 0.85 | ALDH1A1 (0.38) | ALDH1A1KDM4ECYP3A4CYP2C9CYP2C19 | |
| SCHEMBL988230 | 0.85 | ALDH1A1 (0.38) | ALDH1A1KDM4ECYP3A4CYP2C9CYP2C19 | |
| SCHEMBL12949289 | 0.76 | TSHR (0.44) | ALDH1A1CYP3A4CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL988223 | 0.73 | CYP2D6 (0.35) | ALDH1A1KDM4ECYP3A4CYP2C9CYP2C19 | |
| SCHEMBL988222 | 0.73 | CYP2D6 (0.35) | ALDH1A1KDM4ECYP3A4CYP2C9CYP2C19 | |
| SCHEMBL12949521 | 0.73 | ALDH1A1 (0.35) | ALDH1A1CYP3A4CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL12949388 | 0.73 | ALDH1A1 (0.44) | ALDH1A1CYP3A4CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL12923940 | 0.72 | ALDH1A1 (0.35) | ALDH1A1KDM4ECYP3A4CYP2C9CYP2C19 |
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-20110003776-A1 | TETRAHYDROPYRANONAPHTHYRIDINES DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND THERAPEUTIC TREATMENT THEREOF | TRUSTEES OF BOSTON UNIVERSITY (US) | 2011-01-06 | — | — | 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-20110003776-A1 | TETRAHYDROPYRANONAPHTHYRIDINES DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND THERAPEUTIC TREATMENT THEREOF | TPMT, TYMS, QDPR | ALDH1A1 1282/4885KDM4E 2763/4885CYP3A4 12/4885 |
“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.