Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 6/20 | 0.49 |
| ▸ | ESR2 | Q92731 | 6/20 | 0.49 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.37 |
| ▸ | ABHD6 | Q9BV23 | 6/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | EP300 | Q09472 | 1/20 | 0.36 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | RBP4 | P02753 | 1/20 | 0.33 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL24007608 | 0.86 | NOTUM (0.43) | NR1H2EP300CREBBPRBP4 | |
| SCHEMBL5874042 | 0.84 | ESR1 (0.52) | ESR1ESR2NR1H2ABHD6PKM | |
| SCHEMBL8191445 | 0.84 | ESR1 (0.52) | ESR1ESR2NR1H2ABHD6PKM | |
| SCHEMBL23022226 | 0.84 | ESR1 (0.49) | ESR1ESR2ABHD6PKMEP300 | |
| SCHEMBL5874023 | 0.84 | ESR1 (0.49) | ESR1ESR2NR1H2ABHD6PKM | |
| SCHEMBL24813973 | 0.82 | ESR1 (0.47) | ESR1ESR2ABHD6PKMEP300 | |
| SCHEMBL14101081 | 0.78 | ESR1 (0.49) | ESR1ESR2ABHD6PKMEP300 | |
| SCHEMBL7641094 | 0.78 | ABHD6 (0.52) | ESR1ESR2ABHD6PKM | |
| SCHEMBL4179872 | 0.76 | ESR2 (0.72) | ESR1ESR2NR1H2ABHD6PKM | |
| SCHEMBL1641841 | 0.76 | ESR1 (0.72) | ESR1ESR2NR1H2ABHD6PKM |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7105536-B2 | Compounds | SMITHKLINE BEECHAM PLC (GB) | 2006-09-12 | — | — | US | disclosed |
| US-6770657-B2 | ARYL OR HETEROARYL-SUBSTITUTED TETRAHYDROISOQUINOLINE DERIVATES POSSESS ANTI-CONVULSANT ACTIVITY AND ARE THEREFORE BELIEVED TO BE USEFUL IN THE TREATMENT AND/OR PREVENTION OF MANY DISEASES | SMITHKLINE BEECHAM P.L.C. (GB) | 2004-08-03 | — | — | US | disclosed |
| US-20040142964-A1 | Novel compounds | SMITHKLINE BEECHAM P.L.C. | 2004-07-22 | — | — | US | disclosed |
| EP-1367055-A1 | Isoquinolinyl carboxamides and their use as anticonvulsants | SMITHKLINE BEECHAM PLC (GB) | 2003-12-03 | — | — | EP | disclosed |
| US-20030036551-A1 | Novel compounds | SMITHKLINE BEECHAM P.L.C. | 2003-02-20 | — | — | US | disclosed |
| US-6492388-B1 | SUCH AS N-(5-CHLORO-1,2,3,4-TETRAHYDROISOQUINOLIN-7-YL)-4-ETHOXYBENZAMIDE | SMITHKLINE BEECHAM P.L.C. (GB) | 2002-12-10 | — | — | US | disclosed |
| EP-1200409-A2 | SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS | SMITHKLINE BEECHAM PLC (GB) | 2002-05-02 | — | — | EP | disclosed |
| WO-2001002366-A2 | SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS INTICONVULSANTS | SMITHKLINE BEECHAM P.L.C. (GB) | 2001-01-11 | — | — | 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 (2 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-20030036551-A1 | Novel compounds | SCN1B, CNR1, SCN1A | ESR1 1965/4885ESR2 843/4885NR1H2 153/4885 |
| US-20040142964-A1 | Novel compounds | GRIN2C, GRIN2A, NLN | ESR1 3977/4885ESR2 2797/4885NR1H2 1351/4885 |
“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.