Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 4/20 | 0.62 |
| ▸ | BACE1 | P56817 | 4/20 | 0.62 |
| ▸ | LCK | P06239 | 1/20 | 0.56 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.56 |
| ▸ | NPC1 | O15118 | 1/20 | 0.55 |
| ▸ | RAB9A | P51151 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.55 |
| ▸ | MAOB | P27338 | 3/20 | 0.53 |
| ▸ | TLR4 | O00206 | 1/20 | 0.53 |
| ▸ | TLR2 | O60603 | 1/20 | 0.53 |
| ▸ | MAOA | P21397 | 1/20 | 0.53 |
| ▸ | SLC5A1 | P13866 | 1/20 | 0.53 |
| ▸ | SLC5A2 | P31639 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.53 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.53 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL236393 | 0.85 | MAOA (0.72) | GSK3BBACE1LCKNPC1RAB9A | |
| SCHEMBL236394 | 0.85 | MAOA (0.72) | GSK3BBACE1LCKNPC1RAB9A | |
| SCHEMBL20024692 | 0.82 | LCK (0.77) | GSK3BBACE1LCKABCG2NPC1 | |
| SCHEMBL14786203 | 0.82 | LCK (0.77) | GSK3BBACE1LCKABCG2NPC1 | |
| SCHEMBL10245208 | 0.81 | TLR4 (0.44) | GSK3BBACE1ABCG2MAOBTLR4 | |
| SCHEMBL8913590 | 0.80 | LCK (0.81) | GSK3BBACE1LCKABCG2NPC1 | |
| SCHEMBL8913578 | 0.80 | LCK (0.81) | GSK3BBACE1LCKABCG2NPC1 | |
| SCHEMBL15993955 | 0.79 | CYP1A2 (0.79) | GSK3BBACE1LCKABCG2NPC1 | |
| SCHEMBL509860 | 0.79 | MAOA (0.72) | LCKMAOBTLR4TLR2MAOA | |
| SCHEMBL509861 | 0.79 | MAOA (0.72) | LCKMAOBTLR4TLR2MAOA |
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-8841327-B2 | Heterocycles substituted pyridine derivatives and antifungal agent containing thereof | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2014-09-23 | — | — | US | disclosed |
| US-20120029023-A1 | HETEROCYCLES SUBSTITUTED PYRIDINE DERIVATIVES AND ANTIFUNGAL AGENT CONTAINING THEREOF | TANAKA KEIGO (JP) | 2012-02-02 | — | — | 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-20120029023-A1 | HETEROCYCLES SUBSTITUTED PYRIDINE DERIVATIVES AND ANTIFUNGAL AGENT CONTAINING THEREOF | CYP4X1, ERG28, CYP51A1 | GSK3B 2321/4885BACE1 3227/4885LCK 2944/4885 |
“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.