Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NT5E | P21589 | 2/20 | 0.60 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.52 |
| ▸ | P2RY1 | P47900 | 3/20 | 0.52 |
| ▸ | SRC | P12931 | 2/20 | 0.52 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.52 |
| ▸ | P2RY2 | P41231 | 2/20 | 0.52 |
| ▸ | DNPH1 | O43598 | 1/20 | 0.52 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.52 |
| ▸ | TRPM2 | O94759 | 1/20 | 0.52 |
| ▸ | LDHA | P00338 | 1/20 | 0.52 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.52 |
| ▸ | FBP1 | P09467 | 1/20 | 0.52 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.52 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.52 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.52 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.52 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.52 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL8836065 | 1.00 | NT5E (0.60) | NT5EADORA3P2RY1SRCADORA1 | |
| SCHEMBL8836281 | 0.92 | NT5E (0.55) | NT5EP2RY1SRCADORA1P2RY2 | |
| SCHEMBL8836264 | 0.92 | NT5E (0.55) | NT5EP2RY1SRCADORA1P2RY2 | |
| SCHEMBL8836012 | 0.91 | AHCY (0.59) | NT5EP2RY1SRCADORA1P2RY2 | |
| SCHEMBL8835991 | 0.91 | AHCY (0.59) | NT5EP2RY1SRCADORA1P2RY2 | |
| SCHEMBL6763052 | 0.89 | ADORA3 (0.61) | NT5EADORA3P2RY1SRCADORA1 | |
| SCHEMBL8970175 | 0.85 | NT5E (0.59) | NT5EP2RY1SRCADORA1P2RY2 | |
| SCHEMBL9853314 | 0.85 | NT5E (0.59) | NT5EP2RY1SRCADORA1P2RY2 | |
| SCHEMBL8862998 | 0.85 | NT5E (0.59) | NT5EP2RY1SRCADORA1P2RY2 | |
| SCHEMBL800332 | 0.83 | PRMT5 (0.56) | NT5EADORA3ADORA1SMN1; SMN2AHCY |
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-5700786-A | Analogues of adenosine 5'diphosphate and pharmaceutical compositions thereof | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) | 1997-12-23 | — | — | US | claimed |
| US-5700786-A | Analogues of adenosine 5'diphosphate and pharmaceutical compositions thereof | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) | 1997-12-23 | — | — | US | disclosed |
| US-5658890-A | INHIBITORS OF INOSINE MONOPHOSPHATE DEHYDROGENASE | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) | 1997-08-19 | — | — | US | disclosed |
| US-5569650-A | C-nucleoside isosters of analogs thereof and pharmaceutical compositions | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) | 1996-10-29 | — | — | US | disclosed |
| WO-1994029331-A1 | NICOTINAMIDE RIBONUCLEOTIDE ISOSTERS, ISOSTERIC NAD ANALOGUES. THEIR SYNTHESES AND USE IN TREATMENTS OF ALCOHOLISM AND NEOPLASTIC DISEASES | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) | 1994-12-22 | — | — | WO | disclosed |