Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 3/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 5/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 5/20 | 0.39 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | HPGDS | O60760 | 1/20 | 0.35 |
| ▸ | ALKBH2 | Q6NS38 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL700238 | 0.75 | PTGS2 (0.40) | NOTUMMAOAADORA2AADORA1ADORA2B | |
| SCHEMBL4717229 | 0.75 | GAA (0.47) | NOTUMMAOAGAAP2RX7POLB | |
| SCHEMBL1856949 | 0.71 | GAA (0.35) | NOTUMMAOAGAAP2RX7POLB | |
| SCHEMBL7223213 | 0.65 | MAPT (0.54) | GAACA12CA1CA2CA9 | |
| SCHEMBL221485 | 0.64 | GAA (0.59) | NOTUMMAOAGAAPOLBHPGDS | |
| SCHEMBL6030190 | 0.64 | NOTUM (0.58) | NOTUMMAOACA12CA1CA2 | |
| SCHEMBL3568443 | 0.64 | ADORA1 (0.51) | ADORA2AADORA1ADORA2BGAAADORA3 | |
| SCHEMBL28777159 | 0.64 | ADORA1 (0.40) | NOTUMMAOAADORA2AADORA1ADORA2B | |
| Hydrochloric Acid SCHEMBL18397939 | 0.62 | GAA (0.57) | NOTUMMAOAGAACYP1A2CYP2C19 | |
| SCHEMBL430176 | 0.62 | GAA (0.42) | NOTUMMAOAGAAP2RX7POLB |
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 12 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 |
| EP-2178375-B1 | PYRAZOLOÝ1,5-A¨PYRIMIDINE DERIVATIVES | MERCK SHARP & DOHME (US) | 2014-09-24 | — | — | EP | disclosed |
| US-8461162-B2 | Pyrazolo[1,5-a]pyrimidine derivatives | MERCK SHARP & DOHME CORP. (US) | 2013-06-11 | — | — | US | disclosed |
| US-20100305091-A1 | PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES | MERCK SHARP & DOHME LLC | 2010-12-02 | — | — | US | 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 (3 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 | NOTUM 3739/4885MAOA 1991/4885ADORA2A 3693/4885 |
| US-20100029638-A1 | FUSED HETEROCYCLYC INHIBITOR COMPOUNDS | HDAC1, HDAC11, HDAC7 | NOTUM 3750/4885MAOA 2727/4885ADORA2A 4648/4885 |
| US-20100305091-A1 | PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES | MAPT, TTBK1, TTBK2 | NOTUM 4297/4885MAOA 1704/4885ADORA2A 2931/4885 |
“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.