Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.39 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.39 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | CFTR | P13569 | 1/20 | 0.38 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.38 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.38 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11422284 | 0.77 | GAA (0.45) | ALDH1A1KDM4EGAAMAPTMEN1 | |
| SCHEMBL6062487 | 0.77 | CYP3A4 (0.38) | CES2ALDH1A1HPGDHSD17B10KDM4E | |
| SCHEMBL170653 | 0.75 | ESR1 (0.49) | GAAMAPTHRH4 | |
| SCHEMBL21416835 | 0.72 | HRH4 (0.41) | GAAMAPTHRH4NOTUMMEN1 | |
| SCHEMBL3023134 | 0.72 | CES2 (0.53) | CES2ALDH1A1HPGDHSD17B10KDM4E | |
| SCHEMBL18291815 | 0.72 | ALDH1A1 (0.56) | CES2ALDH1A1HPGDHSD17B10KDM4E | |
| SCHEMBL9807563 | 0.71 | CRHBP (0.51) | CES2ALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL10384398 | 0.71 | ALDH1A1 (0.50) | CES2ALDH1A1HPGDHSD17B10KDM4E | |
| SCHEMBL171090 | 0.70 | HRH4 (0.40) | HRH4 | |
| SCHEMBL3925394 | 0.70 | CES2 (0.52) | CES2ALDH1A1HPGDHSD17B10KDM4E |
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-7145035-B2 | Methods of ortho alkylation | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2006-12-05 | — | — | US | disclosed |
| CN-1604891-A | Improved methods of ortho alkylation | DU PONT (US) | 2005-04-06 | — | — | CN | disclosed |
| US-20040082793-A1 | Methods of ortho alkylation | E. I. DU PONT DE NEMOURS AND COMPANY | 2004-04-29 | — | — | US | disclosed |
| EP-1368310-A2 | IMPROVED METHODS OF ORTHO ALKYLATION | E. I. du Pont de Nemours and Company (US) | 2003-12-10 | — | — | EP | disclosed |
| WO-2002072540-A2 | IMPROVED METHODS OF ORTHO ALKYLATION | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2002-09-19 | — | — | 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-20040082793-A1 | Methods of ortho alkylation | CBR1, AOC2, CBR3 | CES2 408/4885ALDH1A1 270/4885HPGD 2563/4885 |
“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.