Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | TLR4 | O00206 | 7/20 | 0.41 |
| ▸ | TLR2 | O60603 | 7/20 | 0.41 |
| ▸ | GSK3B | P49841 | 2/20 | 0.38 |
| ▸ | BACE1 | P56817 | 2/20 | 0.38 |
| ▸ | MAOA | P21397 | 4/20 | 0.38 |
| ▸ | MAOB | P27338 | 4/20 | 0.38 |
| ▸ | PPARG | P37231 | 1/20 | 0.36 |
| ▸ | PPARA | Q07869 | 1/20 | 0.36 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL510291 | 0.86 | TLR4 (0.56) | NPC1ALDH1A1CYP2D6CYP2C19TLR4 | |
| SCHEMBL510290 | 0.86 | TLR4 (0.56) | NPC1ALDH1A1CYP2D6CYP2C19TLR4 | |
| SCHEMBL10245208 | 0.82 | TLR4 (0.44) | TLR4TLR2GSK3BBACE1MAOA | |
| SCHEMBL1106855 | 0.81 | MAOA (0.41) | NPC1TLR4TLR2MAOAMAOB | |
| SCHEMBL13513283 | 0.79 | ALDH1A1 (0.51) | NPC1ALDH1A1CYP2D6CYP2C19GSK3B | |
| SCHEMBL510142 | 0.78 | ALDH1A1 (0.54) | NPC1ALDH1A1CYP2D6CYP2C19MAOA | |
| SCHEMBL10245518 | 0.77 | GSK3B (0.62) | NPC1ALDH1A1CYP2C19TLR4TLR2 | |
| SCHEMBL10055039 | 0.77 | NPC1 (0.68) | NPC1ALDH1A1CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL10246548 | 0.76 | NPC1 (0.49) | NPC1ALDH1A1CYP2D6CYP2C19MEN1 | |
| SCHEMBL13784430 | 0.75 | ALDH1A1 (0.54) | NPC1ALDH1A1CYP2D6CYP2C19PPARG |
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 5 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 |
| EP-2223926-B1 | PYRIDINE DERIVATIVE SUBSTITUTED WITH HETEROCYCLE AND PHOSPHONOXYMETHYL GROUP AND ANTIFUNGAL AGENT CONTAINING THE SAME | EISAI R&D MAN CO LTD (JP) | 2014-02-12 | — | — | EP | disclosed |
| US-20120029023-A1 | HETEROCYCLES SUBSTITUTED PYRIDINE DERIVATIVES AND ANTIFUNGAL AGENT CONTAINING THEREOF | TANAKA KEIGO (JP) | 2012-02-02 | — | — | US | disclosed |
| EP-2223926-A1 | PYRIDINE DERIVATIVE SUBSTITUTED WITH HETEROCYCLE AND PHOSPHONOXYMETHYL GROUP AND ANTIFUNGAL AGENT CONTAINING THE SAME | Eisai R&D Management Co., Ltd. (JP) | 2010-09-01 | — | — | EP | disclosed |
| WO-2009084621-A1 | PYRIDINE DERIVATIVE SUBSTITUTED WITH HETEROCYCLE AND PHOSPHONOXYMETHYL GROUP AND ANTIFUNGAL AGENT CONTAINING THE SAME | EISAI R & D MANAGEMENT CO., LTD. (JP) | 2009-07-09 | — | — | WO | 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 | NPC1 733/4885ALDH1A1 770/4885CYP2D6 39/4885 |
“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.