Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 7/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.38 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.38 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.38 |
| ▸ | MTOR | P42345 | 1/20 | 0.38 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.38 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.38 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.38 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.38 |
| ▸ | GMNN | O75496 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL438165 | 0.85 | CYP1A2 (0.40) | OPRM1CYP1A2CYP3A4CYP2D6NFKB1 | |
| SCHEMBL438868 | 0.85 | SIGMAR1 (0.49) | CYP1A2CYP3A4CYP2D6NFKB1MAPK1 | |
| SCHEMBL436894 | 0.84 | KCNA3 (0.50) | OPRM1CYP1A2CYP3A4CYP2D6NFKB1 | |
| SCHEMBL435963 | 0.82 | POLB (0.45) | CYP3A4CYP2D6LMNAKDM4EALDH1A1 | |
| SCHEMBL436934 | 0.82 | CYP1A2 (0.46) | CYP1A2CYP3A4CYP2D6NFKB1MAPK1 | |
| SCHEMBL438879 | 0.81 | KDM4E (0.39) | CYP2D6KDM4EALDH1A1GFERL3MBTL1 | |
| SCHEMBL438690 | 0.81 | CYP1A2 (0.37) | OPRM1CYP1A2CYP3A4CYP2D6NFKB1 | |
| SCHEMBL438819 | 0.81 | POLB (0.44) | CYP3A4CYP2D6KDM4EALDH1A1GFER | |
| SCHEMBL469062 | 0.80 | CCR5 (0.43) | CCR5OPRM1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL438623 | 0.80 | GAA (0.55) | OPRM1CYP2D6ADRA1DKDM4EALDH1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20150073136-A1 | PYRAZINONE DERIVATIVES | ASTRAZENECA AB (SE) | 2015-03-12 | — | — | US | disclosed |
| US-8889692-B2 | Pyrazinone derivatives, pharmaceutically acceptance salts thereof and their uses | ASTRAZENECA AB (SE) | 2014-11-18 | — | — | US | disclosed |
| US-20120214822-A1 | N-CYCLOPROPYL-3-FLUORO-5-[3-[[1-[2-[2- [(2-HYDROXETHYL)AMINO] ETHOXY]PHENYL] CYCLOPROPYL] AMINO]-2-OXO- 1 (2H)-PYRAZINYL]-4-METHYL-BENZAMIDE, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AND THEIR USES | ASTRAZENECA AB (SE) | 2012-08-23 | — | — | US | disclosed |
| US-8163905-B2 | Compounds and their uses 708 | ASTRAZENECA AB (SE) | 2012-04-24 | — | — | US | disclosed |
| US-20120065214-A1 | COMPOUNDS AND THEIR USES 708 | ASTRAZENECA AB (SE) | 2012-03-15 | — | — | 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-20120065214-A1 | COMPOUNDS AND THEIR USES 708 | CYP3A7, CYP2C8, CYP2C18 | CCR5 1401/4885OPRM1 1243/4885CYP1A2 6/4885 |
| US-20120214822-A1 | N-CYCLOPROPYL-3-FLUORO-5-[3-[[1-[2-[2- [(2-HYDROXETHYL)AMINO] ETHOXY]PHENYL] CYCLOPROPYL] AMINO]-2-OXO- 1 (2H)-PYRAZINYL]-4-METHYL-BENZAMIDE, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AND THEIR USES | H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, H1-0, CYP3A5 | CCR5 442/4885OPRM1 234/4885CYP1A2 12/4885 |
| US-20150073136-A1 | PYRAZINONE DERIVATIVES | CYP3A7, CYP3A4, CYP2D6 | CCR5 1097/4885OPRM1 2107/4885CYP1A2 9/4885 |
“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.