Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.70 |
| ▸ | RAB9A | P51151 | 5/20 | 0.70 |
| ▸ | TP53 | P04637 | 2/20 | 0.70 |
| ▸ | MAPT | P10636 | 2/20 | 0.70 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.70 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.70 |
| ▸ | HTT | P42858 | 1/20 | 0.70 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.70 |
| ▸ | RELA | Q04206 | 1/20 | 0.70 |
| ▸ | MELK | Q14680 | 1/20 | 0.66 |
| ▸ | MEN1 | O00255 | 2/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.56 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.55 |
| ▸ | ITGB3 | P05106 | 3/20 | 0.53 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.53 |
| ▸ | ITGA2 | P17301 | 2/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | PTPRC | P08575 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4566270 | 0.82 | MELK (0.76) | NPC1RAB9ATP53SMN1; SMN2NFKB1 | |
| SCHEMBL29431209 | 0.82 | MELK (0.76) | NPC1RAB9ATP53SMN1; SMN2NFKB1 | |
| SCHEMBL7801349 | 0.80 | MELK (0.54) | NPC1RAB9ATP53MAPTSMN1; SMN2 | |
| SCHEMBL24892142 | 0.80 | MELK (0.87) | NPC1RAB9ATP53MAPTSMN1; SMN2 | |
| SCHEMBL31423364 | 0.78 | MELK (0.55) | MELKSLC2A1ITGB3ITGA2BITGA2 | |
| SCHEMBL7801352 | 0.78 | MELK (0.52) | NPC1RAB9ATP53MAPTSMN1; SMN2 | |
| SCHEMBL2804700 | 0.78 | MEN1 (0.58) | TP53HTTMELKMEN1KMT2A | |
| SCHEMBL19279327 | 0.78 | GRM5 (0.58) | MELKSLC2A1ITGB3ITGA2BITGA2 | |
| Hydrochloric Acid SCHEMBL31423385 | 0.78 | SLC2A1 (0.55) | MELKSLC2A1ITGB3ITGA2BITGA2 | |
| SCHEMBL6643542 | 0.77 | F2 (0.51) | NPC1RAB9ATP53MAPTSMN1; SMN2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1183116-C | Substituted isoquinoline derivatives, pharmaceutical composition containing same, preparation method and application thereof | ʷ��˿�������ȳ�ķ����˾ | 2005-01-05 | — | — | CN | claimed |
| US-20040209912-A1 | Substituted isoquinoline derivatives and their use as anticonvulsants | SMITHKLINE BEECHAM P.L.C. | 2004-10-21 | — | — | US | claimed |
| US-4022900-A | Compositions containing 1,2,3,4-tetrahydroisoquinolines used as hypotensive agents | MARION LABORATORIES, INC. (US) | 1977-05-10 | — | — | 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-20040209912-A1 | Substituted isoquinoline derivatives and their use as anticonvulsants | INA, GRIN2C, GRIN2A | NPC1 852/4885RAB9A 1671/4885TP53 4518/4885 |
“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.