Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | PDE5A | O76074 | 2/20 | 0.43 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.43 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | AURKA | O14965 | 3/20 | 0.42 |
| ▸ | AURKB | Q96GD4 | 3/20 | 0.42 |
| ▸ | MGLL | Q99685 | 1/20 | 0.42 |
| ▸ | GSK3A | P49840 | 3/20 | 0.41 |
| ▸ | GSK3B | P49841 | 3/20 | 0.41 |
| ▸ | SRC | P12931 | 2/20 | 0.41 |
| ▸ | EIF2AK2 | P19525 | 1/20 | 0.41 |
| ▸ | EGFR | P00533 | 2/20 | 0.41 |
| ▸ | PAK4 | O96013 | 1/20 | 0.40 |
| ▸ | PAK1 | Q13153 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL786198 | 1.00 | RAB9A (0.44) | RAB9APDE5AABCG2ABCC1NPC1 | |
| SCHEMBL805566 | 0.91 | GSK3A (0.43) | ABCG2ABCC1AURKAAURKBGSK3A | |
| SCHEMBL13055116 | 0.89 | RAB9A (0.40) | RAB9ANPC1AURKAAURKBMGLL | |
| SCHEMBL785623 | 0.82 | AURKA (0.52) | RAB9APDE5AABCG2ABCC1NPC1 | |
| SCHEMBL13081877 | 0.80 | PAK4 (0.37) | EGFRPAK4PAK1 | |
| SCHEMBL786587 | 0.80 | LMNA (0.49) | ABCG2ABCC1AURKAAURKBGSK3A | |
| SCHEMBL786448 | 0.78 | ABCG2 (0.61) | PDE5AABCG2ABCC1AURKAAURKB | |
| SCHEMBL786646 | 0.76 | ROCK2 (0.53) | PDE5AABCG2ABCC1AURKAAURKB | |
| SCHEMBL786419 | 0.76 | ABCG2 (0.58) | PDE5AABCG2ABCC1AURKAAURKB | |
| SCHEMBL786031 | 0.75 | ACP1 (0.51) | PDE5AABCG2ABCC1AURKAAURKB |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20030083327-A1 | Pyrazole compounds useful as protein kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED | 2003-05-01 | — | — | 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-20030083327-A1 | Pyrazole compounds useful as protein kinase inhibitors | AURKC, AURKA, GSK3B | RAB9A 1042/4885PDE5A 3307/4885ABCG2 910/4885 |
“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.