Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.60 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.60 |
| ▸ | MEN1 | O00255 | 1/20 | 0.60 |
| ▸ | POLB | P06746 | 1/20 | 0.60 |
| ▸ | TSHR | P16473 | 1/20 | 0.60 |
| ▸ | BLM | P54132 | 1/20 | 0.60 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.60 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.60 |
| ▸ | HTR1A | P08908 | 5/20 | 0.55 |
| ▸ | CYP2C8 | P10632 | 4/20 | 0.55 |
| ▸ | CYP2B6 | P20813 | 4/20 | 0.55 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.55 |
| ▸ | LTA4H | P09960 | 2/20 | 0.55 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.55 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.54 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL4283544 | 1.00 | CYP3A4 (0.60) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL4288845 | 1.00 | CYP3A4 (0.60) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL4281842 | 0.99 | CYP3A4 (0.58) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL4289118 | 0.92 | CYP3A4 (0.62) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL4288224 | 0.92 | CYP3A4 (0.62) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL4284084 | 0.91 | CYP3A4 (0.60) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL16661624 | 0.90 | ALOX5 (0.65) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL4293517 | 0.90 | CYP3A4 (0.55) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL4286230 | 0.90 | CYP3A4 (0.55) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL4294344 | 0.89 | CYP3A4 (0.56) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009153136-A2 | MEANS AND METHODS FOR ASSESSING LIVER TOXICITY | BASF SE (DE) | 2009-12-23 | — | — | WO | claimed |
| US-8765809-B2 | Ester derivative and use thereof | AJINOMOTO CO., INC. (JP) | 2014-07-01 | — | — | US | disclosed |
| US-20130053441-A1 | NOVEL ESTER DERIVATIVE AND USE THEREOF | AJINOMOTO CO., INC. (JP) | 2013-02-28 | — | — | US | disclosed |
| US-8212068-B2 | Ester derivative and use thereof | AJINOMOTO CO., INC. (JP) | 2012-07-03 | — | — | US | disclosed |
| US-20090170942-A1 | ESTER DERIVATIVE AND USE THEREOF | AJINOMOTO CO. INC (JP) | 2009-07-02 | — | — | 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 (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-20130053441-A1 | NOVEL ESTER DERIVATIVE AND USE THEREOF | MEP1A, CES2, MEP1B | CYP3A4 472/4885CYP2C9 645/4885CYP2C19 178/4885 |
| US-20090170942-A1 | ESTER DERIVATIVE AND USE THEREOF | MEP1A, CES2, F8 | CYP3A4 502/4885CYP2C9 568/4885CYP2C19 169/4885 |
“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.