Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | MAPK10 | P53779 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | MLYCD | O95822 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7793022 | 0.83 | ALDH1A1 (0.36) | ALDH1A1GAAHPGDMAPK10POLB | |
| SCHEMBL7793029 | 0.83 | ALDH1A1 (0.36) | ALDH1A1GAAHPGDMAPK10POLB | |
| SCHEMBL992588 | 0.77 | MLYCD (0.43) | ALDH1A1MLYCDACHE | |
| SCHEMBL2254005 | 0.77 | MAPT (0.47) | ALDH1A1SMN1; SMN2MEN1KMT2ATSHR | |
| SCHEMBL20483548 | 0.76 | HDAC6 (0.38) | MLYCDACHE | |
| SCHEMBL7797926 | 0.76 | ALDH1A1 (0.41) | ALDH1A1GAAHPGDPOLBSMN1; SMN2 | |
| SCHEMBL18149568 | 0.75 | POLB (0.40) | ALDH1A1GAAPOLBSMN1; SMN2KMT2A | |
| SCHEMBL23462893 | 0.74 | IDO1 (0.44) | ALDH1A1GAATSHRMAPK1MAPT | |
| SCHEMBL1145736 | 0.74 | KDM4E (0.46) | ALDH1A1GAAPOLBSMN1; SMN2THRB | |
| SCHEMBL4334247 | 0.74 | ALDH1A1 (0.52) | ALDH1A1HPGDPOLBSMN1; SMN2MEN1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20010025045-A1 | Substituted isoquinoline derivatives and their use as anticonvulsants | SMITHKLINE BEECHAM P.L.C. | 2001-09-27 | — | — | US | disclosed |
| US-6110934-A | Substituted benzamide derivatives and their use as anticonvulsants | SMITHKLINE BEECHAM P.L.C. (GB) | 2000-08-29 | — | — | US | disclosed |
| EP-1025087-A1 | SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS | SMITHKLINE BEECHAM PLC (GB) | 2000-08-09 | — | — | EP | disclosed |
| WO-1999021836-A1 | SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS | SMITHKLINE BEECHAM PLC (GB) | 1999-05-06 | — | — | 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 (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-20010025045-A1 | Substituted isoquinoline derivatives and their use as anticonvulsants | INA, GRIN2C, GRIN2A | ALDH1A1 494/4885GAA 2863/4885HPGD 589/4885 |
“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.