Known targets — ChEMBL curated mechanism
ADRA1AADRA1BADRA1DADRB1ADRB2ADRB3CYP11B1DPP4FGFR1FGFR2FGFR3FGFR4HRH1JAK1JAK2JAK3KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITNAOPRD1OPRK1OPRM1PPDGFRBPIK3CDSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASMOTYK2polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Inosine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 known ✓ | P27487 | 1/20 | 0.67 |
| ▸ | ADRB2 known ✓ | P07550 | 1/20 | 0.58 |
| ▸ | KCNH2 known ✓ | Q12809 | 1/20 | 0.58 |
| ▸ | SLC29A1 | Q99808 | 4/20 | 0.67 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.67 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.67 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.67 |
| ▸ | MEN1 | O00255 | 1/20 | 0.67 |
| ▸ | SLC28A1 | O00337 | 1/20 | 0.67 |
| ▸ | MAP3K7 | O43318 | 1/20 | 0.67 |
| ▸ | SLC28A2 | O43868 | 1/20 | 0.67 |
| ▸ | GAPDH | P04406 | 1/20 | 0.67 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.67 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.67 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.67 |
| ▸ | STAT6 | P42226 | 1/20 | 0.67 |
| ▸ | PI4KA | P42356 | 1/20 | 0.67 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.67 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.67 |
| ▸ | DOT1L | Q8TEK3 | 1/20 | 0.67 |
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 | |
|---|---|---|---|---|
| Inosine SCHEMBL27486904 | 1.00 | SLC29A1 (0.67) | SLC29A1ADORA1SMN1; SMN2ADORA3DPP4 | |
| Inosine SCHEMBL29898199 | 1.00 | SLC29A1 (0.67) | SLC29A1ADORA1SMN1; SMN2ADORA3DPP4 | |
| Inosine SCHEMBL29941344 | 1.00 | SLC29A1 (0.67) | SLC29A1ADORA1SMN1; SMN2ADORA3DPP4 | |
| Inosine SCHEMBL5365023 | 1.00 | SLC29A1 (0.67) | SLC29A1ADORA1SMN1; SMN2ADORA3DPP4 | |
| Inosine SCHEMBL17824478 | 1.00 | SLC29A1 (0.67) | SLC29A1ADORA1SMN1; SMN2ADORA3DPP4 | |
| Inosine SCHEMBL161317 | 1.00 | SLC29A1 (0.67) | SLC29A1ADORA1SMN1; SMN2ADORA3DPP4 | |
| Inosine SCHEMBL10622941 | 0.99 | SLC29A1 (0.66) | SLC29A1ADORA1SMN1; SMN2ADORA3DPP4 | |
| Inosine SCHEMBL19436352 | 0.99 | ADORA1 (0.66) | SLC29A1ADORA1SMN1; SMN2ADORA3DPP4 | |
| Inosine SCHEMBL311515 | 0.95 | ADORA1 (0.68) | SLC29A1ADORA1SMN1; SMN2ADORA3DPP4 | |
| Inosine SCHEMBL5905453 | 0.94 | SLC29A1 (0.64) | SLC29A1ADORA1SMN1; SMN2ADORA3DPP4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9673030-B2 | Computer readable storage mediums, methods and systems for normalizing chemical profiles in biological or medical samples detected by mass spectrometry | EMORY UNIVERSITY (US) | 2017-06-06 | — | — | US | disclosed |
| US-20110282587-A1 | COMPUTER READABLE STORAGE MEDIUMS, METHODS AND SYSTEMS FOR NORMALIZING CHEMICAL PROFILES IN BIOLOGICAL OR MEDICAL SAMPLES DETECTED BY MASS SPECTROMETRY | EMORY UNIVERSITY (US) | 2011-11-17 | — | — | US | disclosed |