Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.56 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.47 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.47 |
| ▸ | TMPRSS2 | O15393 | 5/20 | 0.45 |
| ▸ | GRAMD1A | Q96CP6 | 1/20 | 0.44 |
| ▸ | MAP3K5 | Q99683 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | MELK | Q14680 | 1/20 | 0.42 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.42 |
| ▸ | RPS6KA2 | Q15349 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | NAMPT | P43490 | 1/20 | 0.42 |
| ▸ | KDM1A | O60341 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3604147 | 0.91 | ESR2 (0.57) | ESR2NR1H2ROCK2TMPRSS2NPC1 | |
| SCHEMBL15652665 | 0.82 | NR1H2 (0.65) | ESR2NR1H2HDAC6HDAC8TMPRSS2 | |
| SCHEMBL20364361 | 0.81 | ESR2 (0.55) | ESR2NR1H2HDAC6HDAC8ROCK2 | |
| SCHEMBL14063092 | 0.81 | ESR2 (0.69) | ESR2NR1H2HDAC6HDAC8TMPRSS2 | |
| SCHEMBL31553409 | 0.80 | ESR2 (0.67) | ESR2NR1H2HDAC6HDAC8TMPRSS2 | |
| SCHEMBL31553363 | 0.80 | ESR2 (0.67) | ESR2NR1H2HDAC6HDAC8TMPRSS2 | |
| SCHEMBL29803301 | 0.79 | ESR2 (0.55) | ESR2NR1H2HDAC6HDAC8TMPRSS2 | |
| SCHEMBL23253905 | 0.78 | ESR2 (0.54) | ESR2NR1H2ROCK2TMPRSS2NPC1 | |
| SCHEMBL3024823 | 0.78 | ESR2 (0.69) | ESR2NR1H2HDAC6HDAC8NPC1 | |
| SCHEMBL30301758 | 0.78 | ESR2 (0.69) | ESR2NR1H2HDAC6HDAC8NPC1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100041696-A1 | Compounds | SMITHKLINE BEECHAM CORPORATION | 2010-02-18 | — | — | US | disclosed |
| US-20100041696-A1 | Compounds | SMITHKLINE BEECHAM CORPORATION | 2010-02-18 | — | — | US | disclosed |
| US-20100041696-A1 | Compounds | SMITHKLINE BEECHAM CORPORATION | 2010-02-18 | — | — | US | disclosed |
| WO-2008074824-A2 | ISOQUINOLINECARBOXAMIDES AS INHIBITORS OF STEAROYL-COA DESATURASE (SCD) | SMITHKLINE BEECHAM CORPORATION (US) | 2008-06-26 | — | — | 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-20100041696-A1 | Compounds | CYP11B2, SCD, CYP3A5 | ESR2 3025/4885NR1H2 260/4885HDAC6 2107/4885 |
“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.