Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIN1 | Q13526 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA3 | P07451 | 1/20 | 0.38 |
| ▸ | CA6 | P23280 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | HPGDS | O60760 | 1/20 | 0.37 |
| ▸ | MAP4K4 | O95819 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.36 |
| ▸ | METAP2 | P50579 | 1/20 | 0.36 |
| ▸ | METAP1 | P53582 | 1/20 | 0.36 |
| ▸ | HSD17B14 | Q9BPX1 | 1/20 | 0.36 |
| ▸ | PKN1 | Q16512 | 1/20 | 0.36 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.36 |
| ▸ | APP | P05067 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL13668594 | 0.93 | PIN1 (0.40) | PIN1CA12CA2CA3CA6 | |
| SCHEMBL1035242 | 0.79 | ALDH1A1 (0.47) | PIN1CA2HPGDSKDM4EALDH1A1 | |
| SCHEMBL6422468 | 0.79 | GRM5 (0.42) | HPGDSKDM4EALDH1A1CYP11B1CYP11B2 | |
| SCHEMBL4726210 | 0.79 | CDC7 (0.41) | PIN1HPGDSMAP4K4KDM4EALDH1A1 | |
| SCHEMBL2437956 | 0.77 | PIN1 (0.44) | PIN1CA12CA2CA3CA6 | |
| SCHEMBL14582923 | 0.75 | ESR2 (0.48) | MAP4K4KDM4EALDH1A1GAADYRK1A | |
| SCHEMBL25260514 | 0.74 | HRH3 (0.46) | PIN1CA12CA2CA3CA6 | |
| SCHEMBL622637 | 0.72 | CDK5 (0.47) | PIN1MAP4K4KDM4EALDH1A1GLA | |
| SCHEMBL15197891 | 0.72 | PIN1 (0.42) | PIN1CA2KDM4EALDH1A1GLA | |
| SCHEMBL30189727 | 0.72 | HPGD (0.45) | MAP4K4KDM4EALDH1A1GAAMETAP2 |
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-20180155341-A1 | Antibacterial Compounds | JANSSEN SCIENCES IRELAND UC (IE) | 2018-06-07 | — | — | US | disclosed |
| WO-2017001661-A1 | ANTIBACTERIAL COMPOUNDS | JANSSEN SCIENCES IRELAND UC (IE) | 2017-01-05 | — | — | WO | disclosed |
| US-20090258862-A1 | Niacin receptor agonists, compositions containing such compounds and methods of treatment | MERCK SHARP & DOHME CORP. | 2009-10-15 | — | — | US | disclosed |
| WO-2007027532-A2 | NIACIN RECEPTOR AGONISTS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT | MERCK & CO., INC. (US) | 2007-03-08 | — | — | 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 (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-20090258862-A1 | Niacin receptor agonists, compositions containing such compounds and methods of treatment | LDLR, APOB, FFAR1 | PIN1 4694/4885CA12 4768/4885CA2 4250/4885 |
| US-20180155341-A1 | Antibacterial Compounds | FDPS, SQOR, NDUFS3 | PIN1 524/4885CA12 4157/4885CA2 3368/4885 |
“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.