Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR84 | Q9NQS5 | 11/20 | 0.56 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.52 |
| ▸ | PPARG | P37231 | 7/20 | 0.50 |
| ▸ | PPARD | Q03181 | 7/20 | 0.50 |
| ▸ | PPARA | Q07869 | 7/20 | 0.50 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.50 |
| ▸ | TSHR | P16473 | 4/20 | 0.50 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | TLR2 | O60603 | 2/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | FABP4 | P15090 | 2/20 | 0.50 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.50 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | ESR1 | P03372 | 1/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | PDE4A | P27815 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| Octane SCHEMBL2717632 | 0.97 | GPR84 (0.59) | GPR84AKR1B1PPARGPPARDPPARA | |
| 3-Methylbutanoic Acid SCHEMBL503119 | 0.97 | GPR84 (0.59) | GPR84AKR1B1PPARGPPARDPPARA | |
| Hexadecane SCHEMBL27840691 | 0.97 | GPR84 (0.59) | GPR84AKR1B1PPARGPPARDPPARA | |
| Hexanoate SCHEMBL7904664 | 0.91 | AKR1B1 (0.70) | GPR84AKR1B1PPARGPPARDPPARA | |
| 3-Methylbutanoic Acid SCHEMBL2303256 | 0.89 | TDP1 (0.48) | GPR84ALDH1A1TDP1SLC22A6 | |
| Octanoic Acid SCHEMBL15528089 | 0.89 | GPR84 (0.71) | GPR84AKR1B1PPARGPPARDPPARA | |
| Nonanoate SCHEMBL15527828 | 0.89 | GPR84 (0.71) | GPR84AKR1B1PPARGPPARDPPARA | |
| Decanoic Acid SCHEMBL15528050 | 0.89 | GPR84 (0.71) | GPR84AKR1B1PPARGPPARDPPARA | |
| Undecanoate SCHEMBL15528113 | 0.89 | GPR84 (0.71) | GPR84AKR1B1PPARGPPARDPPARA | |
| 3-Methylbutanoic Acid SCHEMBL28019449 | 0.89 | TSHR (0.54) | GPR84PPARGPPARDPPARAHDAC11 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2603500-B1 | INHIBITORS OF BRUTON'S TYROSINE KINASE | HOFFMANN LA ROCHE (CH) | 2014-11-19 | — | — | EP | disclosed |
| EP-2603500-A1 | INHIBITORS OF BRUTON'S TYROSINE KINASE | F.HOFFMANN-LA ROCHE AG (CH) | 2013-06-19 | — | — | EP | disclosed |
| WO-2012020008-A1 | INHIBITORS OF BRUTON'S TYROSINE KINASE | F. HOFFMANN-LA ROCHE AG (CH) | 2012-02-16 | — | — | WO | disclosed |
| EP-1023266-B1 | PROCESS FOR MAKING DIARYL PYRIDINES USEFUL AS COX-2 INHIBITORS | MERCK & CO INC (US) | 2003-01-08 | — | — | EP | disclosed |
| US-20020042375-A1 | Method of treating cancer | HEIMBROOK DAVID C (US) | 2002-04-11 | — | — | US | disclosed |
| EP-1023266-A2 | PROCESS FOR MAKING DIARYL PYRIDINES USEFUL AS COX-2 INHIBITORS | Merck & Co., Inc. (US) | 2000-08-02 | — | — | EP | disclosed |
| US-6040450-A | REACTING BENZOSULFIDE DERIVATIVE WITH MAGNESIUM TO FORM A MAGNESIUM HALIDE CONTAINING BENZOSULFIDE DERIVATIVE, REACTING THE INTERMEDIATE WITH PYRIDINE DERIVATIVE TO FORM INTERMEDIATE, OXIDIZING AND CONDENSING THE INTERMEDIATE | MERCK & CO., INC. (US) | 2000-03-21 | — | — | US | disclosed |
| WO-1999015503-A2 | PROCESS FOR MAKING DIARYL PYRIDINES USEFUL AS COX-2 INHIBITORS | MERCK & CO., INC. (US) | 1999-04-01 | — | — | 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-20020042375-A1 | Method of treating cancer | ACP3, KLK3, FOLH1 | GPR84 3362/4885AKR1B1 425/4885PPARG 419/4885 |
“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.