Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.45 |
| ▸ | CES1 | P23141 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.40 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.39 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.39 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.39 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.39 |
| ▸ | GSK3B | P49841 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4114080 | 0.87 | CES2 (0.45) | CES2CES1ALDH1A1HDAC1TRPV1 | |
| SCHEMBL18130710 | 0.83 | PDE2A (0.44) | CES2CES1ALDH1A1HDAC1TRPV1 | |
| SCHEMBL7718602 | 0.82 | ESR1 (0.48) | CES2CES1ALDH1A1HDAC1POLB | |
| SCHEMBL38841 | 0.82 | HDAC1 (0.59) | ALDH1A1HDAC1POLBSRD5A2NPC1 | |
| SCHEMBL68177 | 0.82 | CES2 (0.67) | CES2CES1TRPV1SRD5A2PTPN1 | |
| SCHEMBL10895274 | 0.80 | CES2 (0.46) | CES2CES1ALDH1A1TRPV1SRD5A2 | |
| SCHEMBL27704404 | 0.80 | ALDH1A1 (0.42) | CES2CES1ALDH1A1HDAC1POLB | |
| SCHEMBL10892992 | 0.80 | CES2 (0.46) | CES2CES1ALDH1A1TRPV1SRD5A2 | |
| SCHEMBL107327 | 0.80 | SRD5A2 (0.61) | CES2CES1ALDH1A1SRD5A2NR4A2 | |
| SCHEMBL103721 | 0.78 | CES2 (0.50) | CES2CES1ALDH1A1SRD5A2PTPN1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2205564-B1 | NOVEL KINASE INHIBITORS | HOFFMANN LA ROCHE (CH) | 2014-07-30 | — | — | EP | disclosed |
| EP-2426109-B1 | NOVEL KINASE INHIBITORS | HOFFMANN LA ROCHE (CH) | 2013-12-18 | — | — | EP | disclosed |
| EP-2426109-A1 | NOVEL KINASE INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2012-03-07 | — | — | EP | disclosed |
| US-7943618-B2 | Btk protein kinase inhibitors | ROCHE PALO ALTO LLC (US) | 2011-05-17 | — | — | US | disclosed |
| EP-2205564-A1 | NOVEL KINASE INHIBITORS | F. Hoffmann-Roche AG (CH) | 2010-07-14 | — | — | EP | disclosed |
| WO-2009053269-A1 | NOVEL KINASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-04-30 | — | — | WO | disclosed |
| US-20090105209-A1 | BTK protein kinase inhibitors | ROCHE PALO ALTO LLC | 2009-04-23 | — | — | US | disclosed |
| EP-1150955-A2 | G-PROTEIN COUPLED HEPTAHELICAL RECEPTOR BINDING COMPOUNDS AND METHODS OF USE THEREOF | Millennium Pharmaceuticals, Inc. (US) | 2001-11-07 | — | — | EP | disclosed |
| WO-2000046203-A2 | G-PROTEIN COUPLED HEPTAHELICAL RECEPTOR BINDING COMPOUNDS AND METHODS OF USE THEREOF | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2000-08-10 | — | — | 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-20090105209-A1 | BTK protein kinase inhibitors | BTK, SYK, LYN | CES2 4490/4885CES1 2638/4885ALDH1A1 3990/4885 |
“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.