Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | ACAT1 | P24752 | 1/20 | 0.35 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.35 |
| ▸ | SHMT2 | P34897 | 2/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | ELANE | P08246 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | CRHR1 | P34998 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7012962 | 0.83 | MEN1 (0.39) | CYP3A4ALDH1A1CYP1A2KDM4ELMNA | |
| SCHEMBL7010768 | 0.81 | HTR2A (0.36) | ALDH1A1KDM4ETSHRSHMT2KMT2A | |
| SCHEMBL7536943 | 0.78 | HTT (0.35) | MAPTTSHRHDAC1LMNAKMT2A | |
| SCHEMBL7534781 | 0.74 | KMT2A (0.54) | ALDH1A1KDM4EMAPTTSHRSHMT2 | |
| SCHEMBL7010048 | 0.74 | SHMT2 (0.42) | KDM4EMAPTSHMT2KMT2AMEN1 | |
| SCHEMBL17684661 | 0.63 | ALDH1A1 (0.61) | CYP3A4ALDH1A1CYP1A2KDM4EELANE | |
| SCHEMBL7887076 | 0.62 | GSK3A (0.43) | CYP3A4ALDH1A1CYP1A2KDM4ETP53 | |
| SCHEMBL26571880 | 0.62 | GRIN2D (0.40) | ELANE | |
| SCHEMBL12783918 | 0.60 | PLK1 (0.37) | ELANE | |
| Difucol Hexamethyl Ether SCHEMBL505203 | 0.60 | CYP1A2 (0.60) | CYP3A4ALDH1A1CYP1A2MAPTELANE |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2003529532-A | — | — | 2003-10-07 | — | — | JP | claimed |
| US-20020177613-A1 | 4-substituted-3-substituted-amino-cyclobut-3-ene-1,2-diones and analogs thereof as novel potassium channel openers | AMERICAN HOME PRODUCTS CORPORATION (US) | 2002-11-28 | — | — | US | claimed |
| US-6376555-B1 | MUSCLE RELAXANTS | AMERICAN HOME PRODUCTS CORPORATION | 2002-04-23 | — | — | US | claimed |
| EP-1135365-A1 | 4-3-SUBSTITUTED-AMINO-CYCLOBUT-3-ENE-1,2-DIONES AND USE FOR INFLUENCING SMOOTH MUSCLE CONTRACTION | AMERICAN HOME PRODUCTS CORPORATION (US) | 2001-09-26 | — | — | EP | claimed |
| WO-2000034230-A1 | 4-3-SUBSTITUTED-AMINO-CYCLOBUT-3-ENE-1,2-DIONES AND USE FOR INFLUENCING SMOOTH MUSCLE CONTRACTION | AMERICAN HOME PRODUCTS CORPORATION (US) | 2000-06-15 | — | — | WO | claimed |
| US-20020177613-A1 | 4-substituted-3-substituted-amino-cyclobut-3-ene-1,2-diones and analogs thereof as novel potassium channel openers | AMERICAN HOME PRODUCTS CORPORATION (US) | 2002-11-28 | — | — | US | disclosed |
| US-6465523-B1 | TREATMENT OF SMOOTH MUSCLE CONTRACTION DISORDERS SUCH AS URINARY INCONTINENCE, ASTHMA, PREMATURE LABOR, IRRITABLE BOWEL SYNDROME, CONGESTIVE HEART FAILURE, ANGINA, CEREBRAL VASCULAR DISEASE | AMERICAN HOME PRODUCTS | 2002-10-15 | — | — | US | disclosed |
| US-6462059-B1 | TREATMENT OF DISORDERS ASSOCIATED WITH SMOOTH MUSCLE CONTRACTION; URINARY INCONTINENCE, ASTHMA, PREMATURE LABOR, IRRITABLE BOWEL SYNDROME, CONGESTIVE HEART FAILURE, ANGINA, AND CEREBRAL VASCULAR DISEASE | AMERICAN HOME PRODUCTS | 2002-10-08 | — | — | US | disclosed |
| US-6376555-B1 | MUSCLE RELAXANTS | AMERICAN HOME PRODUCTS CORPORATION | 2002-04-23 | — | — | 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-20020177613-A1 | 4-substituted-3-substituted-amino-cyclobut-3-ene-1,2-diones and analogs thereof as novel potassium channel openers | KCNN3, KCNJ2, KCNE1 | CYP3A4 1277/4885ALDH1A1 1434/4885CYP1A2 1785/4885 |
“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.