Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.60 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | RECQL | P46063 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.46 |
| ▸ | TNKS | O95271 | 1/20 | 0.46 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.46 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.46 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.46 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL141612 | 1.00 | AKR1C3 (0.60) | AKR1C3AKR1C1CYP2C9CYP3A4TP53 | |
| SCHEMBL243721 | 1.00 | AKR1C3 (0.60) | AKR1C3AKR1C1CYP2C9CYP3A4TP53 | |
| Hydrochloric Acid SCHEMBL15862140 | 0.97 | AKR1C3 (0.58) | AKR1C3AKR1C1CYP2C9CYP3A4TP53 | |
| Hydrochloric Acid SCHEMBL15862141 | 0.97 | AKR1C3 (0.58) | AKR1C3AKR1C1CYP2C9CYP3A4TP53 | |
| Methane SCHEMBL1221501 | 0.97 | AKR1C3 (0.58) | AKR1C3AKR1C1CYP2C9CYP3A4TP53 | |
| SCHEMBL27561113 | 0.97 | AKR1C3 (0.58) | AKR1C3AKR1C1CYP2C9CYP3A4TP53 | |
| SCHEMBL28307539 | 0.97 | AKR1C3 (0.58) | AKR1C3AKR1C1CYP2C9CYP3A4TP53 | |
| Ammonia Solution, Strong SCHEMBL28233006 | 0.95 | AKR1C3 (0.56) | AKR1C3AKR1C1CYP2C9CYP3A4TP53 | |
| Sulfuric Acid SCHEMBL28985900 | 0.91 | AKR1C3 (0.52) | AKR1C3AKR1C1CYP2C9CYP3A4TP53 | |
| Phenol SCHEMBL15014256 | 0.91 | AKR1C3 (0.52) | AKR1C3AKR1C1CYP2C9CYP3A4TP53 |
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-7989450-B2 | Functionalized diarylisoxazoles inhibitors of ciclooxygenase | UNIVERSITA' DEGLI STUDI DI BARI (IT) | 2011-08-02 | — | — | US | disclosed |
| US-20090181970-A1 | Functionalized diarylisoxazoles inhibitors of ciclooxygenase | UNIVERSITA' DEGLI STUDI DI BARI (IT) | 2009-07-16 | — | — | US | disclosed |
| EP-0912567-A1 | CARBOLINE DERIVATIVES | ICOS CORPORATION (US) | 1999-05-06 | — | — | EP | disclosed |
| WO-1997043287-A1 | CARBOLINE DERIVATIVES | ICOS CORPORATION (US) | 1997-11-20 | — | — | WO | disclosed |
| EP-0343714-B1 | Phenylglycidate stereoisomers, conversion products thereof with e.g. 2-nitrothiophenol and preparation of diltiazem | DSM NV (NL) | 1994-11-02 | — | — | EP | 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-20090181970-A1 | Functionalized diarylisoxazoles inhibitors of ciclooxygenase | PTGIS, ALOX5, ALOX15 | AKR1C3 278/4885AKR1C1 456/4885CYP2C9 10/4885 |
“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.