Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCAT2 | O15382 | 1/20 | 0.67 |
| ▸ | CHUK | O15111 | 4/20 | 0.59 |
| ▸ | IKBKB | O14920 | 4/20 | 0.59 |
| ▸ | IKBKE | Q14164 | 2/20 | 0.59 |
| ▸ | PKMYT1 | Q99640 | 1/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | PARP1 | P09874 | 1/20 | 0.51 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.51 |
| ▸ | CDC7 | O00311 | 7/20 | 0.50 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.50 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.50 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.50 |
| ▸ | MKNK2 | Q9HBH9 | 2/20 | 0.50 |
| ▸ | GSK3B | P49841 | 1/20 | 0.50 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.49 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.49 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.49 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.48 |
| ▸ | CDK2 | P24941 | 1/20 | 0.48 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL164881 | 0.96 | BCAT2 (0.71) | BCAT2CHUKIKBKBIKBKEPKMYT1 | |
| Hydrochloric Acid SCHEMBL4597839 | 0.95 | BCAT2 (0.69) | BCAT2CHUKIKBKBIKBKEPKMYT1 | |
| Hydrochloric Acid SCHEMBL29710331 | 0.95 | BCAT2 (0.69) | BCAT2CHUKIKBKBIKBKEPKMYT1 | |
| Hydrochloric Acid SCHEMBL9027847 | 0.95 | BCAT2 (0.69) | BCAT2CHUKIKBKBIKBKEPKMYT1 | |
| SCHEMBL30582476 | 0.89 | BCAT2 (0.83) | BCAT2CHUKIKBKBALDH1A1CSNK1A1 | |
| SCHEMBL28529048 | 0.87 | CHUK (0.56) | BCAT2CHUKIKBKBIKBKEPKMYT1 | |
| SCHEMBL5878337 | 0.87 | BCAT2 (0.87) | BCAT2IKBKBALDH1A1PARP1CSNK1A1 | |
| Pyridine SCHEMBL28666919 | 0.86 | BCAT2 (0.79) | BCAT2CHUKIKBKBIKBKEPKMYT1 | |
| SCHEMBL31140008 | 0.85 | BCAT2 (0.92) | BCAT2CHUKIKBKBIKBKEPKMYT1 | |
| SCHEMBL7143118 | 0.81 | CHUK (0.61) | BCAT2CHUKIKBKBIKBKEPKMYT1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050080084-A1 | Compositions of a cyclooxygenase-2 selective inhibitor and a serotonin-modulating agent for the treatment of central nervous system damage | PHARMACIA CORPORATION | 2005-04-14 | — | — | US | 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-20050080084-A1 | Compositions of a cyclooxygenase-2 selective inhibitor and a serotonin-modulating agent for the treatment of central nervous system damage | TPH2, TPH1, HTR2A | BCAT2 2228/4885CHUK 132/4885IKBKB 196/4885 |
“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.