Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA4 | P22748 | 1/20 | 0.42 |
| ▸ | CA6 | P23280 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | TPMT | P51580 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL14003532 | 0.81 | ALDH1A1 (0.69) | ALDH1A1MEN1KMT2APKML3MBTL1 | |
| SCHEMBL2935777 | 0.81 | CA12 (0.65) | ALDH1A1MEN1KMT2ATSHRCA12 | |
| SCHEMBL30894823 | 0.81 | TSHR (0.66) | ALDH1A1KMT2ACYP1A2CYP3A4CYP2C9 | |
| SCHEMBL14850065 | 0.81 | TSHR (0.66) | ALDH1A1KMT2ACYP1A2CYP3A4CYP2C9 | |
| SCHEMBL31371258 | 0.80 | MAPT (0.58) | ALDH1A1MEN1KMT2ACYP1A2CYP3A4 | |
| SCHEMBL8891941 | 0.80 | MAPT (0.58) | ALDH1A1MEN1KMT2ACYP1A2CYP3A4 | |
| SCHEMBL408803 | 0.79 | HTR2A (0.43) | ALDH1A1MEN1KMT2ACYP1A2CYP3A4 | |
| SCHEMBL10001148 | 0.78 | TUBB4A (0.57) | ALDH1A1MEN1KMT2ACYP1A2CYP3A4 | |
| SCHEMBL13543199 | 0.77 | HTT (0.67) | ALDH1A1MEN1KMT2ACYP1A2CYP3A4 | |
| SCHEMBL7797952 | 0.77 | TSHR (0.46) | ALDH1A1MEN1KMT2ACYP1A2CYP3A4 |
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 7 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-1999052857-A1 | NOVEL COMPOUNDS | SMITHKLINE BEECHAM PLC (GB) | 1999-10-21 | — | — | WO | disclosed |
| WO-1999021836-A1 | SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS | SMITHKLINE BEECHAM PLC (GB) | 1999-05-06 | — | — | WO | disclosed |
| EP-0906283-A1 | SUBSTITUTED BENZAMIDE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS | SMITHKLINE BEECHAM PLC (GB) | 1999-04-07 | — | — | EP | disclosed |
| WO-1997048683-A1 | SUBSTITUTED BENZAMIDE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS | SMITHKLINE BEECHAM PLC (GB) | 1997-12-24 | — | — | 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 494/4885MEN1 3408/4885KMT2A 445/4885 |
“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.