Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 10/20 | 0.62 |
| ▸ | RAB9A | P51151 | 3/20 | 0.57 |
| ▸ | NPC1 | O15118 | 2/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | FDPS | P14324 | 1/20 | 0.54 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.54 |
| ▸ | CNR2 | P34972 | 1/20 | 0.51 |
| ▸ | KDR | P35968 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | TMIGD3 | P0DMS9 | 1/20 | 0.48 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL7599559 | 0.85 | FDPS (0.54) | ADORA3RAB9ANPC1CYP3A4CYP2C19 | |
| SCHEMBL29825764 | 0.85 | FDPS (0.54) | ADORA3RAB9ANPC1CYP3A4CYP2C19 | |
| SCHEMBL28230042 | 0.84 | NPC1 (0.53) | ADORA3RAB9ANPC1FDPSCNR2 | |
| SCHEMBL6436826 | 0.84 | ADORA3 (0.49) | ADORA3RAB9ANPC1ABCG2MEN1 | |
| SCHEMBL1206235 | 0.84 | ADORA3 (0.55) | ADORA3RAB9ANPC1ABCG2MEN1 | |
| SCHEMBL6434738 | 0.84 | ADORA3 (0.55) | ADORA3RAB9ANPC1ABCG2CNR2 | |
| SCHEMBL4879083 | 0.83 | FDPS (0.47) | ADORA3RAB9AFDPSCNR2 | |
| SCHEMBL6439071 | 0.83 | ADORA3 (0.54) | ADORA3RAB9ANPC1ABCG2MEN1 | |
| SCHEMBL1204620 | 0.83 | ADORA3 (0.54) | ADORA3RAB9ANPC1ABCG2CNR2 | |
| SCHEMBL5380631 | 0.82 | FDPS (0.51) | ADORA3RAB9ANPC1FDPSCNR2 |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108329262-A | The synthetic method of N- (2- quinolyls) benzamide compound | 温州大学 | 2018-07-27 | — | — | CN | disclosed |
| 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 |
| CN-1192022-C | Novel compound | SMITHKLINE BEECHAM PLC (GB) | 2005-03-09 | — | — | CN | 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 |
| CN-1390205-A | Novel compound | SMITHKLINE BEECHAM PLC (GB) | 2003-01-08 | — | — | CN | 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 |
| US-6277861-B1 | FOR TREATMENT AND PROPHYLAXIS OF NERVOUS SYSTEM DISORDERS, PSYCHOLOGICAL DISORDERS, MUSCULAR DISORDERS, DRUG ADDICTION WITHDRAWAL, PAIN | SMITHKLINE BEECHAM, P.L.C. (GB) | 2001-08-21 | — | — | US | disclosed |
| WO-2001002366-A2 | SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS INTICONVULSANTS | SMITHKLINE BEECHAM P.L.C. (GB) | 2001-01-11 | — | — | WO | disclosed |
| CN-1255917-A | Anti-convulsant isoquinolyl-benzamide derivatives | SMITHKLINE BEECHAM PLC (GB) | 2000-06-07 | — | — | CN | disclosed |
| CN-1255917-A | Anti-convulsant isoquinolyl-benzamide derivatives | SMITHKLINE BEECHAM PLC (GB) | 2000-06-07 | — | — | CN | 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 | ADORA3 2057/4885RAB9A 2749/4885NPC1 110/4885 |
| US-20040142964-A1 | Novel compounds | GRIN2C, GRIN2A, NLN | ADORA3 1466/4885RAB9A 920/4885NPC1 581/4885 |
“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.