Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 7/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 7/20 | 0.59 |
| ▸ | KCNH2 | Q12809 | 7/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.56 |
| ▸ | ESR1 | P03372 | 2/20 | 0.56 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.56 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.56 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.56 |
| ▸ | DRD1 | P21728 | 2/20 | 0.56 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.56 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.56 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | PGR | P06401 | 1/20 | 0.56 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.56 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.56 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.56 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.56 |
| ▸ | ABCC2 | Q92887 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL3862575 | 0.95 | CYP2C9 (0.62) | CYP2C9CYP2C19KCNH2CYP3A4CYP2D6 | |
| SCHEMBL10261494 | 0.83 | CYP2C9 (0.56) | CYP2C9CYP2C19KCNH2CYP3A4CYP2D6 | |
| SCHEMBL10261760 | 0.83 | KCNH2 (0.59) | CYP2C9CYP2C19KCNH2CYP3A4CYP2D6 | |
| SCHEMBL22969102 | 0.82 | EGFR (0.49) | CYP2C9CYP2C19KCNH2CYP3A4CYP2D6 | |
| SCHEMBL22969084 | 0.81 | CYP2C9 (0.53) | CYP2C9CYP2C19KCNH2CYP3A4CYP2D6 | |
| SCHEMBL3859466 | 0.81 | PRKCI (0.42) | CYP2C9CYP2C19KCNH2CYP3A4CYP2D6 | |
| SCHEMBL22969205 | 0.81 | CYP2C9 (0.46) | CYP2C9CYP2C19KCNH2CYP3A4CYP2D6 | |
| SCHEMBL22969110 | 0.81 | CYP2C9 (0.46) | CYP2C9CYP2C19KCNH2CYP3A4CYP2D6 | |
| SCHEMBL22969078 | 0.81 | CYP2C9 (0.52) | CYP2C9CYP2C19KCNH2CYP3A4CYP2D6 | |
| SCHEMBL1715974 | 0.79 | CYP2C9 (0.56) | CYP2C9CYP2C19KCNH2CYP3A4CYP2D6 |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8324223-B2 | Substituted thieno [2,3-d] pyrimidines as HIV inhibitors | ARDEA BIOSCIENCES, INC. (US) | 2012-12-04 | — | — | US | disclosed |
| US-8324223-B2 | Substituted thieno [2,3-d] pyrimidines as HIV inhibitors | ARDEA BIOSCIENCES, INC. (US) | 2012-12-04 | — | — | US | disclosed |
| US-8324223-B2 | Substituted thieno [2,3-d] pyrimidines as HIV inhibitors | ARDEA BIOSCIENCES, INC. (US) | 2012-12-04 | — | — | US | disclosed |
| US-20120225894-A1 | Substituted Thienol[2,3-d] pyrimidines as HIV Inhibitors | ARDEA BIOSCIENCES, INC. (US) | 2012-09-06 | — | — | US | disclosed |
| US-20120225894-A1 | Substituted Thienol[2,3-d] pyrimidines as HIV Inhibitors | ARDEA BIOSCIENCES, INC. (US) | 2012-09-06 | — | — | US | disclosed |
| US-20120225894-A1 | Substituted Thienol[2,3-d] pyrimidines as HIV Inhibitors | ARDEA BIOSCIENCES, INC. (US) | 2012-09-06 | — | — | US | disclosed |
| US-8211898-B2 | Substituted thieno[3,2-d]pyrimidines as HIV inhibitors | ARDEA BIOSCIENCES, INC. (US) | 2012-07-03 | — | — | US | disclosed |
| US-8211898-B2 | Substituted thieno[3,2-d]pyrimidines as HIV inhibitors | ARDEA BIOSCIENCES, INC. (US) | 2012-07-03 | — | — | US | disclosed |
| US-20090281124-A1 | 4-CYANOPHENYLAMINO-SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS HIV INHIBITORS | ARDEA BIOSCIENCES (US) | 2009-11-12 | — | — | US | disclosed |
| US-20090281124-A1 | 4-CYANOPHENYLAMINO-SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS HIV INHIBITORS | ARDEA BIOSCIENCES (US) | 2009-11-12 | — | — | US | disclosed |
| US-7595324-B2 | Substituted thieno[3,2-D]pyrimidines as HIV inhibitors | ARDEA BIOSCIENCES, INC. (US) | 2009-09-29 | — | — | US | disclosed |
| US-7595324-B2 | Substituted thieno[3,2-D]pyrimidines as HIV inhibitors | ARDEA BIOSCIENCES, INC. (US) | 2009-09-29 | — | — | US | disclosed |
| US-7595324-B2 | Substituted thieno[3,2-D]pyrimidines as HIV inhibitors | ARDEA BIOSCIENCES, INC. (US) | 2009-09-29 | — | — | US | disclosed |
| US-20080176871-A1 | 4-CYANOPHENYLAMINO-SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS HIV INHIBITORS | ARDEA BIOSCIENCES, INC. (US) | 2008-07-24 | — | — | US | disclosed |
| US-20080176871-A1 | 4-CYANOPHENYLAMINO-SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS HIV INHIBITORS | ARDEA BIOSCIENCES, INC. (US) | 2008-07-24 | — | — | US | disclosed |
| US-20080176871-A1 | 4-CYANOPHENYLAMINO-SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS HIV INHIBITORS | ARDEA BIOSCIENCES, INC. (US) | 2008-07-24 | — | — | 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-20080176871-A1 | 4-CYANOPHENYLAMINO-SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS HIV INHIBITORS | CYCS, DCK, NSUN2 | CYP2C9 556/4885CYP2C19 720/4885KCNH2 3869/4885 |
| US-20120225894-A1 | Substituted Thienol[2,3-d] pyrimidines as HIV Inhibitors | TYMS, DUT, TYMP | CYP2C9 512/4885CYP2C19 459/4885KCNH2 3940/4885 |
| US-20090281124-A1 | 4-CYANOPHENYLAMINO-SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS HIV INHIBITORS | CYCS, DCK, NSUN2 | CYP2C9 556/4885CYP2C19 720/4885KCNH2 3869/4885 |
“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.