Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX3 | P56373 | 6/20 | 0.61 |
| ▸ | P2RY1 | P47900 | 5/20 | 0.61 |
| ▸ | P2RX2 | Q9UBL9 | 5/20 | 0.61 |
| ▸ | P2RY2 | P41231 | 4/20 | 0.61 |
| ▸ | P2RX1 | P51575 | 3/20 | 0.61 |
| ▸ | SRC | P12931 | 2/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.61 |
| ▸ | P2RX4 | Q99571 | 2/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.61 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.60 |
| ▸ | TRPM2 | O94759 | 2/20 | 0.60 |
| ▸ | DNPH1 | O43598 | 1/20 | 0.60 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.60 |
| ▸ | LDHA | P00338 | 1/20 | 0.60 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.60 |
| ▸ | FBP1 | P09467 | 1/20 | 0.60 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.60 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.60 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.60 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.60 |
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 | |
|---|---|---|---|---|
| SCHEMBL3858337 | 0.96 | P2RY1 (0.62) | P2RX3P2RY1P2RX2P2RY2P2RX1 | |
| SCHEMBL1905818 | 0.91 | P2RX3 (0.72) | P2RX3P2RY1P2RX2P2RY2P2RX1 | |
| SCHEMBL1905822 | 0.91 | P2RX3 (0.72) | P2RX3P2RY1P2RX2P2RY2P2RX1 | |
| SCHEMBL1906291 | 0.90 | P2RY1 (0.74) | P2RX3P2RY1P2RX2P2RY2P2RX1 | |
| SCHEMBL1906288 | 0.90 | P2RY1 (0.74) | P2RX3P2RY1P2RX2P2RY2P2RX1 | |
| SCHEMBL29015761 | 0.90 | P2RY1 (0.77) | P2RX3P2RY1P2RX2P2RY2P2RX1 | |
| SCHEMBL3859612 | 0.89 | P2RY1 (0.67) | P2RX3P2RY1P2RX2P2RY2P2RX1 | |
| SCHEMBL14853709 | 0.88 | P2RY1 (0.59) | P2RX3P2RY1P2RX2P2RY2P2RX1 | |
| SCHEMBL15084467 | 0.88 | ADORA1 (0.67) | P2RX3P2RY1P2RX2P2RY2P2RX1 | |
| Thioinosine Monophosphate SCHEMBL379366 | 0.87 | DNPH1 (0.77) | P2RX3P2RY1P2RX2P2RY2P2RX1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1825254-A4 | METHOD FOR OPTIMIZING THIOPURINE EFFICACY AND TOXICITY USING MASS SPECTROMETRY | PROMETHEUS LAB INC (US) | 2009-01-14 | — | — | EP | disclosed |
| EP-1825254-A2 | METHOD FOR OPTIMIZING THIOPURINE EFFICACY AND TOXICITY USING MASS SPECTROMETRY | Prometheus Laboratories, Inc. (US) | 2007-08-29 | — | — | EP | disclosed |
| US-20060216726-A1 | Method for optimizing thiopurine efficacy and toxicity using mass spectrometry | PROMETHEUS LABORATORIES INC. (US) | 2006-09-28 | — | — | US | disclosed |
| WO-2006055527-A2 | METHOD FOR OPTIMIZING THIOPURINE EFFICACY AND TOXICITY USING MASS SPECTROMETRY | PROMETHEUS LABORATORIES INC. (US) | 2006-05-26 | — | — | WO | disclosed |