Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 3/20 | 0.68 |
| ▸ | NPC1 | O15118 | 2/20 | 0.56 |
| ▸ | POLB | P06746 | 2/20 | 0.56 |
| ▸ | RAB9A | P51151 | 2/20 | 0.56 |
| ▸ | HCAR2 | Q8TDS4 | 5/20 | 0.56 |
| ▸ | TTR | P02766 | 2/20 | 0.49 |
| ▸ | MAOB | P27338 | 3/20 | 0.46 |
| ▸ | APP | P05067 | 3/20 | 0.46 |
| ▸ | MAOA | P21397 | 2/20 | 0.46 |
| ▸ | CA12 | O43570 | 3/20 | 0.46 |
| ▸ | CA1 | P00915 | 3/20 | 0.46 |
| ▸ | CA2 | P00918 | 3/20 | 0.46 |
| ▸ | CA3 | P07451 | 3/20 | 0.46 |
| ▸ | CA4 | P22748 | 3/20 | 0.46 |
| ▸ | CA6 | P23280 | 3/20 | 0.46 |
| ▸ | CA5A | P35218 | 3/20 | 0.46 |
| ▸ | CA7 | P43166 | 3/20 | 0.46 |
| ▸ | CA9 | Q16790 | 3/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.46 |
| ▸ | CA5B | Q9Y2D0 | 3/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL5527097 | 1.00 | PTGS2 (0.68) | PTGS2NPC1POLBRAB9AHCAR2 | |
| SCHEMBL9454573 | 0.88 | POLB (0.70) | PTGS2NPC1POLBRAB9AHCAR2 | |
| SCHEMBL9454564 | 0.88 | POLB (0.70) | PTGS2NPC1POLBRAB9AHCAR2 | |
| SCHEMBL14342645 | 0.83 | NPC1 (0.77) | PTGS2NPC1POLBRAB9ATTR | |
| SCHEMBL1793302 | 0.79 | PTGS2 (0.87) | PTGS2NPC1POLBRAB9ATTR | |
| SCHEMBL14342572 | 0.79 | PTGS2 (0.87) | PTGS2NPC1POLBRAB9ATTR | |
| SCHEMBL1793300 | 0.79 | PTGS2 (0.87) | PTGS2NPC1POLBRAB9ATTR | |
| SCHEMBL1793303 | 0.79 | PTGS2 (0.87) | PTGS2NPC1POLBRAB9ATTR | |
| SCHEMBL14342575 | 0.76 | PTGS2 (0.67) | PTGS2NPC1POLBRAB9ATTR | |
| SCHEMBL5599558 | 0.75 | HCAR2 (0.63) | NPC1POLBRAB9AHCAR2DAO |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8710038-B2 | Pyrazole kinase modulators and methods of use | EXELIXIS, INC. (US) | 2014-04-29 | — | — | US | disclosed |
| US-8710038-B2 | Pyrazole kinase modulators and methods of use | EXELIXIS, INC. (US) | 2014-04-29 | — | — | US | disclosed |
| US-8710038-B2 | Pyrazole kinase modulators and methods of use | EXELIXIS, INC. (US) | 2014-04-29 | — | — | US | disclosed |
| US-20070293507-A1 | Pyrazole Kinase Modulators And Methods Of Use | EXELIXIS, INC. (US) | 2007-12-20 | — | — | US | disclosed |
| US-20070293507-A1 | Pyrazole Kinase Modulators And Methods Of Use | EXELIXIS, INC. (US) | 2007-12-20 | — | — | US | disclosed |
| US-20070293507-A1 | Pyrazole Kinase Modulators And Methods Of Use | EXELIXIS, INC. (US) | 2007-12-20 | — | — | 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 (1 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-20070293507-A1 | Pyrazole Kinase Modulators And Methods Of Use | MAP3K1, MAP3K3, MAP3K5 | PTGS2 768/4885NPC1 2422/4885POLB 2353/4885 |
“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.