Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 4/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | HSD17B2 | P37059 | 3/20 | 0.38 |
| ▸ | APP | P05067 | 2/20 | 0.38 |
| ▸ | PGR | P06401 | 3/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.35 |
| ▸ | IKBKB | O14920 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.32 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.31 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.31 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.31 |
| ▸ | HTR1D | P28221 | 1/20 | 0.31 |
| ▸ | HTR1B | P28222 | 1/20 | 0.31 |
| ▸ | F2 | P00734 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL272392 | 0.78 | ALDH1A1 (0.42) | APPPGRHDAC3HDAC1HDAC2 | |
| SCHEMBL5258814 | 0.68 | CYP2A6 (0.50) | HSD17B1CYP2A6HSD17B2PGRPDGFRB | |
| SCHEMBL9193008 | 0.67 | CYP2A6 (0.50) | HSD17B1CYP2A6HSD17B2PGRPDGFRB | |
| SCHEMBL13999265 | 0.66 | HSD17B1 (0.52) | HSD17B1CYP2A6HSD17B2APPPGR | |
| SCHEMBL6291458 | 0.66 | HSD17B1 (0.52) | HSD17B1CYP2A6HSD17B2APPPGR | |
| SCHEMBL4454574 | 0.66 | APP (0.70) | HSD17B1CYP2A6HSD17B2APPIKBKB | |
| SCHEMBL27702479 | 0.66 | HSD17B1 (0.47) | HSD17B1CYP2A6HSD17B2APPPGR | |
| SCHEMBL6084576 | 0.66 | HSD17B1 (0.33) | HSD17B1CYP2A6HSD17B2 | |
| SCHEMBL15624533 | 0.66 | CYP3A4 (0.55) | HSD17B1CYP2A6HSD17B2APPPGR | |
| SCHEMBL4426806 | 0.65 | ALDH1A1 (0.55) | APP |
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-8134000-B2 | Imidazolyl pyrimidine inhibitor compounds | GILEAD SCIENCES, INC. (US) | 2012-03-13 | — | — | US | claimed |
| US-8124764-B2 | Fused heterocyclyc inhibitor compounds | GILEAD SCIENCES, INC. (US) | 2012-02-28 | — | — | US | claimed |
| JP-2011528039-A | — | — | 2011-11-10 | — | — | JP | claimed |
| JP-2011528040-A | — | — | 2011-11-10 | — | — | JP | claimed |
| EP-2303881-A2 | FUSED HETEROCYCLYC INHIBITORS OF HISTONE DEACETYLASE AND/OR CYCLIN-DEPENDENT KINASES | GILEAD SCIENCES, INC. (US) | 2011-04-06 | — | — | EP | claimed |
| US-20100029638-A1 | FUSED HETEROCYCLYC INHIBITOR COMPOUNDS | GILEAD SCIENCES, INC. | 2010-02-04 | — | — | US | claimed |
| WO-2010009139-A2 | IMIDAZOLYL PYRIMIDINE INHIBITOR COMPOUNDS | GILEAD COLORADO, INC. (US) | 2010-01-21 | — | — | WO | claimed |
| WO-2010009155-A2 | FUSED HETEROCYCLYC INHIBITOR COMPOUNDS | GILEAD COLORADO, INC. (US) | 2010-01-21 | — | — | WO | claimed |
| US-20100009990-A1 | IMIDAZOLYL PYRIMIDINE INHIBITOR COMPOUNDS | GILEAD SCIENCES, INC. | 2010-01-14 | — | — | US | claimed |
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-20100009990-A1 | IMIDAZOLYL PYRIMIDINE INHIBITOR COMPOUNDS | HDAC1, CDK9, CDK2 | HSD17B1 1034/4885CYP2A6 2853/4885HSD17B2 1027/4885 |
| US-20100029638-A1 | FUSED HETEROCYCLYC INHIBITOR COMPOUNDS | HDAC1, HDAC11, HDAC7 | HSD17B1 879/4885CYP2A6 3488/4885HSD17B2 855/4885 |
“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.