Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.65 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | LCK | P06239 | 1/20 | 0.49 |
| ▸ | FYN | P06241 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | FABP4 | P15090 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA3 | P07451 | 1/20 | 0.40 |
| ▸ | CA4 | P22748 | 1/20 | 0.40 |
| ▸ | CA6 | P23280 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6299608 | 0.88 | KDM4E (0.52) | KDM4ENPSR1ALDH1A1HPGDLCK | |
| SCHEMBL10721823 | 0.86 | LCK (0.59) | KDM4ENPSR1ALDH1A1HPGDLCK | |
| SCHEMBL7801323 | 0.86 | KDM4E (0.54) | KDM4ENPSR1ALDH1A1HPGDLCK | |
| SCHEMBL997218 | 0.86 | KDM4E (0.49) | KDM4ENPSR1ALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL7377807 | 0.85 | KDM4E (0.52) | KDM4ENPSR1ALDH1A1HPGDLCK | |
| SCHEMBL8576478 | 0.85 | KDM4E (0.52) | KDM4ENPSR1ALDH1A1HPGDLCK | |
| SCHEMBL10560818 | 0.84 | NPSR1 (0.51) | KDM4ENPSR1ALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL8901972 | 0.84 | KDM4E (0.63) | KDM4ENPSR1ALDH1A1HPGDLCK | |
| SCHEMBL7801303 | 0.84 | KDM4E (0.63) | KDM4ENPSR1ALDH1A1HPGDLCK | |
| SCHEMBL6298412 | 0.83 | KDM4E (0.55) | KDM4ENPSR1ALDH1A1HPGDLCK |
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 9 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 |
| 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 |
| US-5686482-A | DOPAMINE RECEPTOR ANTAGONIST | YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) | 1997-11-11 | — | — | US | disclosed |
| EP-0757985-A1 | N-(3-PYRROLIDINYL)BENZAMIDE DERIVATIVE | YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) | 1997-02-12 | — | — | EP | disclosed |
| US-4816471-A | NERVOUS SYSTEM DISORDERS | SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILLE-DE FRANCE (FR) | 1989-03-28 | — | — | US | disclosed |
| US-4673686-A | CNS MODIFIERS, ANTI-APOMORPHINE ANTIENETIC ACITIVTY/ | SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLE DE L'ILE DE FRANCE (FR) | 1987-06-16 | — | — | US | disclosed |
| US-4459300-A | ANTIEMETICS, GASTROINTESTINAL DISORDERS, CENTRAL NERVOUS SYSTEM, PSYCHOLOGICAL DISORDERS | BEECHAM GROUP P.L.C. (GB) | 1984-07-10 | — | — | US | disclosed |
| EP-0069482-A1 | Azabicycloalkyl benzamides, process for their preparation and pharmaceutical compositions containing them | BEECHAM GROUP PLC (GB) | 1983-01-12 | — | — | EP | 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 | KDM4E 910/4885NPSR1 532/4885ALDH1A1 494/4885 |
“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.