Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 5/20 | 0.48 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.35 |
| ▸ | ABHD6 | Q9BV23 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5781997 | 0.91 | ESR1 (0.43) | ESR1ESR2L3MBTL1PKMHPGD | |
| SCHEMBL117485 | 0.85 | ESR1 (0.48) | ESR1ESR2L3MBTL1PKMHPGD | |
| SCHEMBL13076095 | 0.85 | ESR1 (0.45) | ESR1ESR2L3MBTL1PKMHPGD | |
| SCHEMBL169052 | 0.85 | ESR1 (0.44) | ESR1ESR2PKMHPGDALDH1A1 | |
| SCHEMBL24826417 | 0.80 | ESR1 (0.52) | ESR1ESR2PKMABHD6 | |
| SCHEMBL30139135 | 0.80 | ESR1 (0.52) | ESR1ESR2PKMABHD6 | |
| SCHEMBL5874042 | 0.80 | ESR1 (0.52) | ESR1ESR2PKMABHD6 | |
| SCHEMBL18255074 | 0.80 | ESR1 (0.52) | ESR1ESR2PKMALDH1A1RAB9A | |
| SCHEMBL114156 | 0.79 | ESR1 (0.65) | ESR1ESR2PKMHPGDALDH1A1 | |
| SCHEMBL29805828 | 0.79 | ESR1 (0.65) | ESR1ESR2PKMHPGDALDH1A1 |
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 10 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 |
| EP-1367055-B1 | Isoquinolinyl carboxamides and their use as anticonvulsants | SMITHKLINE BEECHAM PLC (GB) | 2005-10-19 | — | — | EP | 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-1200409-B1 | SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS | SMITHKLINE BEECHAM PLC (GB) | 2004-02-25 | — | — | EP | 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 843/4885L3MBTL1 1997/4885 |
| US-20040142964-A1 | Novel compounds | GRIN2C, GRIN2A, NLN | ESR1 3977/4885ESR2 2797/4885L3MBTL1 3414/4885 |
“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.