Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.47 |
| ▸ | CES1 | P23141 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | PLAU | P00749 | 1/20 | 0.44 |
| ▸ | ELANE | P08246 | 1/20 | 0.44 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | FLT1 | P17948 | 1/20 | 0.43 |
| ▸ | FLT4 | P35916 | 1/20 | 0.43 |
| ▸ | KDR | P35968 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.39 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7148504 | 0.83 | JAK2 (0.50) | CES2CES1ALDH1A1PLAUELANE | |
| SCHEMBL7840807 | 0.83 | RAB9A (0.47) | CES2CES1ALDH1A1PLAUELANE | |
| SCHEMBL5038563 | 0.83 | TSHR (0.52) | ALDH1A1POLBFLT1FLT4KDR | |
| Bromide SCHEMBL6280880 | 0.82 | JAK2 (0.49) | CES2CES1ALDH1A1PLAUELANE | |
| SCHEMBL1250577 | 0.80 | SMN1; SMN2 (0.53) | CES2CES1ALDH1A1P2RX7FLT1 | |
| SCHEMBL4016467 | 0.79 | CES2 (0.52) | CES2CES1ALDH1A1MEN1KMT2A | |
| SCHEMBL235265 | 0.77 | CES2 (0.58) | CES2CES1ALDH1A1PLAUELANE | |
| SCHEMBL31186641 | 0.77 | CES2 (0.58) | CES2CES1ALDH1A1PLAUELANE | |
| SCHEMBL7143404 | 0.76 | CYP11B2 (0.50) | CES2CES1ALDH1A1PLAUELANE | |
| SCHEMBL1874833 | 0.76 | CES2 (0.56) | CES2CES1ALDH1A1PLAUELANE |
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 |
|---|---|---|---|---|---|---|---|
| EP-1966173-B1 | HETEROCYCLIC DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF | SANOFI AVENTIS (FR) | 2010-11-17 | — | — | EP | disclosed |
| US-7618991-B2 | Heterocyclic derivatives, preparation and therapeutic use thereof | SANOFI-AVENTIS (FR) | 2009-11-17 | — | — | US | disclosed |
| US-20080269303-A1 | HETEROCYCLIC DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF | SANOFI-AVENTIS (FR) | 2008-10-30 | — | — | US | disclosed |
| EP-1966173-A2 | HETEROCYCLIC DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF | Sanofi-Aventis (FR) | 2008-09-10 | — | — | EP | disclosed |
| WO-2007068815-A2 | HETEROCYCLIC DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF | SANOFI-AVENTIS (FR) | 2007-06-21 | — | — | WO | disclosed |
| WO-2006131807-A1 | PREPARATION OF 3-AMINO-4,5-DISUBSTITUTED-PYRAZOLE DERIVATIVES | PFIZER PRODUCTS INC. (US) | 2006-12-14 | — | — | 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-20080269303-A1 | HETEROCYCLIC DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF | CYP11B2, CYP11B1, NQO1 | CES2 176/4885CES1 566/4885ALDH1A1 181/4885 |
“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.