Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DNPH1 | O43598 | 8/20 | 0.43 |
| ▸ | P2RY1 | P47900 | 2/20 | 0.43 |
| ▸ | TAS1R3 | Q7RTX0 | 2/20 | 0.43 |
| ▸ | TAS1R1 | Q7RTX1 | 2/20 | 0.43 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.43 |
| ▸ | TRPM2 | O94759 | 1/20 | 0.43 |
| ▸ | LDHA | P00338 | 1/20 | 0.43 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.43 |
| ▸ | FBP1 | P09467 | 1/20 | 0.43 |
| ▸ | SRC | P12931 | 1/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.43 |
| ▸ | P2RY2 | P41231 | 1/20 | 0.43 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.43 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.43 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.43 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | P2RY11 | Q96G91 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL5801879 | 0.89 | DNPH1 (0.44) | DNPH1P2RY1TAS1R3TAS1R1PRKAB2 | |
| SCHEMBL3859625 | 0.86 | DNPH1 (0.45) | DNPH1P2RY1TAS1R3TAS1R1PRKAB2 | |
| SCHEMBL30211839 | 0.81 | P2RY1 (0.54) | DNPH1P2RY1TAS1R3TAS1R1PRKAB2 | |
| SCHEMBL8440659 | 0.81 | P2RX3 (0.49) | P2RY1SRCP2RY2SMN1; SMN2RNASEL | |
| SCHEMBL15210133 | 0.81 | P2RY1 (0.53) | DNPH1P2RY1TAS1R3TAS1R1PRKAB2 | |
| SCHEMBL1085901 | 0.81 | P2RX1 (0.59) | P2RY1TRPM2SRCP2RY2SMN1; SMN2 | |
| SCHEMBL17515130 | 0.80 | DNPH1 (0.45) | DNPH1P2RY1TAS1R3TAS1R1PRKAB2 | |
| SCHEMBL6712740 | 0.80 | P2RY1 (0.56) | DNPH1P2RY1TAS1R3TAS1R1PRKAB2 | |
| SCHEMBL3858345 | 0.79 | P2RX3 (0.49) | P2RY1SRCP2RY2SMN1; SMN2RNASEL | |
| SCHEMBL4982512 | 0.79 | P2RY1 (0.53) | DNPH1P2RY1TAS1R3TAS1R1PRKAB2 |
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 |