Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCAT2 | O15382 | 1/20 | 0.67 |
| ▸ | PARP1 | P09874 | 4/20 | 0.51 |
| ▸ | IKBKB | O14920 | 2/20 | 0.49 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.49 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.46 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.45 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.45 |
| ▸ | GRK2 | P25098 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL10908563 | 0.89 | BCAT2 (0.77) | BCAT2PARP1IKBKBCHEK1KDM4E | |
| SCHEMBL3624407 | 0.85 | BCAT2 (0.49) | BCAT2PARP1IKBKBCHEK1AKR1C3 | |
| SCHEMBL16149659 | 0.85 | BCAT2 (0.91) | BCAT2PARP1IKBKBCHEK1KDM4E | |
| SCHEMBL456065 | 0.84 | HNF4A (0.59) | BCAT2AKR1C3ALDH1A1MAPTHSD17B10 | |
| SCHEMBL28353842 | 0.84 | BCAT2 (0.75) | BCAT2PARP1IKBKBCHEK1KEAP1 | |
| SCHEMBL1456885 | 0.82 | BCAT2 (0.67) | BCAT2PARP1IKBKBCHEK1KDM4E | |
| SCHEMBL28096188 | 0.82 | BCAT2 (0.67) | BCAT2PARP1CHEK1MAPTTSHR | |
| SCHEMBL12505389 | 0.81 | TSHR (0.46) | BCAT2PARP1IKBKBAKR1C3KDM4E | |
| SCHEMBL3632646 | 0.81 | BCAT2 (0.65) | BCAT2PARP1CHEK1MAPTKEAP1 | |
| SCHEMBL3632126 | 0.81 | BCAT2 (0.65) | BCAT2PARP1IKBKBCHEK1KDM4E |
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-8633175-B2 | Compounds as antagonists or inverse agonists at opioid receptors | GLAXOSMITHKLINE LLC (US) | 2014-01-21 | — | — | US | disclosed |
| US-20110124559-A1 | NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS | SMITHKLINE BEECHAM CORPORATION (US) | 2011-05-26 | — | — | US | disclosed |
| EP-1633715-A1 | 2-(6-AMINO-PYRIDIN-3-YL)-2-HYDROXYETHYLAMINE DERIVATIVES AS BETA 2-ADRENOCEPTORS AGONISTS | Pfizer Limited (GB) | 2006-03-15 | — | — | EP | disclosed |
| WO-2004108676-A1 | 2-(6-AMINO-PYRIDIN-3-YL)-2-HYDROXYETHYLAMINE DERIVATIVES AS BETA 2-ADRENOCEPTORS AGONISTS | PFIZER LIMITED (GB) | 2004-12-16 | — | — | 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-20110124559-A1 | NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS | OPRL1, OPRM1, OPRK1 | BCAT2 2529/4885PARP1 4618/4885IKBKB 1413/4885 |
“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.