Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 5/20 | 0.53 |
| ▸ | SYK | P43405 | 1/20 | 0.52 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP4B1 | P13584 | 1/20 | 0.50 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.50 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.50 |
| ▸ | CYP2A7 | P20853 | 1/20 | 0.50 |
| ▸ | CYP3A7 | P24462 | 1/20 | 0.50 |
| ▸ | CYP2F1 | P24903 | 1/20 | 0.50 |
| ▸ | CYP2C18 | P33260 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | CYP2J2 | P51589 | 1/20 | 0.50 |
| ▸ | CYP4F2 | P78329 | 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 | |
|---|---|---|---|---|
| SCHEMBL15624567 | 0.87 | CYP1A1 (0.58) | KCNH2SYKCYP1A1CYP1A2CYP2E1 | |
| SCHEMBL6608193 | 0.85 | SYK (0.52) | SYKCTSACA12CA1CA2 | |
| SCHEMBL696471 | 0.83 | KCNH2 (0.45) | KCNH2SYKCYP1A1CYP1A2CYP2E1 | |
| SCHEMBL13422804 | 0.83 | FFAR4 (0.49) | KCNH2SYKCYP1A1CYP2D6CYP1B1 | |
| SCHEMBL11425087 | 0.81 | CYP11B1 (0.55) | KCNH2SYKCYP2D6GRM5CYP11B1 | |
| SCHEMBL11689848 | 0.81 | ESR2 (0.56) | KCNH2SYKCYP1A1CYP1A2CYP2E1 | |
| SCHEMBL11690934 | 0.81 | SYK (0.47) | KCNH2SYKCYP1A1CYP3A4CYP2D6 | |
| SCHEMBL4620558 | 0.80 | JAK2 (0.52) | SYKPTPRCPTPN1PGRSQOR | |
| SCHEMBL5961843 | 0.80 | CYP3A4 (0.53) | CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8 | |
| SCHEMBL31663902 | 0.80 | MKNK1 (0.62) | KCNH2CYP3A4GRM5CYP11B1CYP11B2 |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1034164-B1 | SUBSTITUTED BETA-ALANINE DERIVATIVES AS CELL ADHESION INHIBITORS | MERCK & CO INC (US) | 2004-05-19 | — | — | EP | claimed |
| EP-1034164-A4 | SUBSTITUTED BETA-ALANINE DERIVATIVES AS CELL ADHESION INHIBITORS | MERCK & CO INC (US) | 2001-07-11 | — | — | EP | claimed |
| EP-1034164-A1 | SUBSTITUTED BETA-ALANINE DERIVATIVES AS CELL ADHESION INHIBITORS | Merck & Co., Inc. (US) | 2000-09-13 | — | — | EP | claimed |
| WO-1999026921-A1 | SUBSTITUTED β-ALANINE DERIVATIVES AS CELL ADHESION INHIBITORS | MERCK & CO., INC. (US) | 1999-06-03 | — | — | WO | claimed |
| US-20230047816-A1 | PFKFB3 INHIBITORS AND THEIR USES | GERO PTE. LTD. (SG) | 2023-02-16 | — | — | US | disclosed |
| CN-114773249-A | Compounds, pharmaceutical compositions and methods for treating inflammatory diseases | 艾匹克治疗公司 | 2022-07-22 | — | — | CN | disclosed |
| CN-1207810-C | Nonaqueous electrolyte and lithium secondary battery using the electrolyte | MITSUI CHEMICALS INC (JP) | 2005-06-22 | — | — | CN | disclosed |
| EP-1034164-B1 | SUBSTITUTED BETA-ALANINE DERIVATIVES AS CELL ADHESION INHIBITORS | MERCK & CO INC (US) | 2004-05-19 | — | — | EP | disclosed |
| US-6645939-B1 | Very late antigen-4 (VLA) integrin antagonists; antiallergens, antiasthmatics, and antiinflammatory agents; multiple sclerosis, autoimmune disease treatment | MERCK & CO., INC. | 2003-11-11 | — | — | US | disclosed |
| CN-1430306-A | Nonaqueous electrolyte and lithium secondary battery using the electrolyte | MITSUI CHEMICALS INC (JP) | 2003-07-16 | — | — | CN | disclosed |
| EP-1034164-A4 | SUBSTITUTED BETA-ALANINE DERIVATIVES AS CELL ADHESION INHIBITORS | MERCK & CO INC (US) | 2001-07-11 | — | — | EP | disclosed |
| WO-2000071572-A1 | SUBSTITUTED BETA-ALANINE DERIVATIVES AS CELL ADHESION INHIBITORS | MERCK & CO., INC. (US) | 2000-11-30 | — | — | WO | disclosed |
| EP-1034164-A1 | SUBSTITUTED BETA-ALANINE DERIVATIVES AS CELL ADHESION INHIBITORS | Merck & Co., Inc. (US) | 2000-09-13 | — | — | EP | disclosed |
| WO-1999026921-A1 | SUBSTITUTED β-ALANINE DERIVATIVES AS CELL ADHESION INHIBITORS | MERCK & CO., INC. (US) | 1999-06-03 | — | — | 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-20230047816-A1 | PFKFB3 INHIBITORS AND THEIR USES | PFKFB3, PFKFB4, PFKFB1 | KCNH2 2887/4885SYK 2481/4885CYP1A1 4515/4885 |
“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.