Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIN1 | Q13526 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA3 | P07451 | 1/20 | 0.43 |
| ▸ | CA6 | P23280 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.40 |
| ▸ | HSD17B14 | Q9BPX1 | 1/20 | 0.39 |
| ▸ | PKN1 | Q16512 | 1/20 | 0.39 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.39 |
| ▸ | MMP3 | P08254 | 1/20 | 0.39 |
| ▸ | PKMYT1 | Q99640 | 1/20 | 0.38 |
| ▸ | APP | P05067 | 3/20 | 0.38 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.37 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL15197891 | 0.83 | PIN1 (0.42) | PIN1CA2KDM4EALDH1A1GLA | |
| SCHEMBL29392214 | 0.81 | NQO2 (0.50) | PIN1CA2KDM4EALDH1A1GLA | |
| SCHEMBL1996329 | 0.81 | NQO2 (0.50) | PIN1CA2KDM4EALDH1A1GLA | |
| SCHEMBL124083 | 0.79 | TDP1 (0.44) | PIN1CA2KDM4EALDH1A1GLA | |
| SCHEMBL6469352 | 0.79 | CYP2C19 (0.36) | PIN1KDM4EALDH1A1GAA | |
| SCHEMBL27527069 | 0.79 | HSD17B14 (0.46) | PIN1CA12CA2CA3CA6 | |
| SCHEMBL15423632 | 0.77 | HSD17B14 (0.33) | PIN1KDM4EALDH1A1GLAGAA | |
| SCHEMBL15423634 | 0.77 | HSD17B14 (0.33) | PIN1KDM4EALDH1A1GLAGAA | |
| SCHEMBL8764525 | 0.77 | KDM4E (0.40) | PIN1KDM4EALDH1A1GLAGAA | |
| SCHEMBL13668590 | 0.77 | PIN1 (0.40) | PIN1CA12CA2CA3CA6 |
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-20110257137-A1 | HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE | KALYPSYS, INC. (US) | 2011-10-20 | — | — | US | disclosed |
| US-20110257137-A1 | HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE | KALYPSYS, INC. (US) | 2011-10-20 | — | — | US | disclosed |
| WO-2011112731-A2 | HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE | KALYPSYS, INC. (US) | 2011-09-15 | — | — | WO | disclosed |
| WO-2011112731-A2 | HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE | KALYPSYS, INC. (US) | 2011-09-15 | — | — | WO | disclosed |
| US-7081346-B2 | Method of screening binding of a compound to a receptor | MARQUETTE UNIVERSITY (US) | 2006-07-25 | — | — | US | disclosed |
| US-20030215959-A1 | Method of screening binding of a compound to a receptor | MARQUETTE UNIVERSITY | 2003-11-20 | — | — | US | disclosed |
| EP-0260467-B1 | Quinoxaline compounds and their preparation and use | NOVO NORDISK AS (DK) | 1993-12-29 | — | — | EP | disclosed |
| US-4812458-A | 6,7-disubstituted-2,3-dihydroxyquinoxaline compounds, pharmaceutical compositions thereof, and their use as neuroleptics | A/S FERROSAN (DK) | 1989-03-14 | — | — | US | disclosed |
| EP-0260467-A2 | Quinoxaline compounds and their preparation and use | NOVO NORDISK A/S (DK) | 1988-03-23 | — | — | 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 (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-20030215959-A1 | Method of screening binding of a compound to a receptor | FSHR, GRB7, GPR174 | PIN1 4363/4885CA12 4110/4885CA2 3631/4885 |
| US-20110257137-A1 | HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE | HRH4, HRH3, HRH2 | PIN1 2232/4885CA12 1302/4885CA2 809/4885 |
“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.