Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 8/20 | 0.50 |
| ▸ | AURKB | Q96GD4 | 8/20 | 0.50 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | GFER | P55789 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | SRC | P12931 | 2/20 | 0.38 |
| ▸ | GSK3B | P49841 | 2/20 | 0.38 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3324249 | 0.90 | MAPT (0.43) | AURKAAURKBROCK2NPC1RAB9A | |
| SCHEMBL1054549 | 0.83 | AURKA (0.53) | AURKAAURKBSRCNTRK1CYP1A2 | |
| SCHEMBL4367242 | 0.82 | AURKA (0.55) | AURKAAURKBSRCNTRK1CYP1A2 | |
| SCHEMBL1532405 | 0.81 | AURKA (0.62) | AURKAAURKBSRCNTRK1CYP1A2 | |
| SCHEMBL12656805 | 0.79 | AURKB (0.56) | AURKAAURKBSRCGSK3B | |
| SCHEMBL10560991 | 0.78 | TSHR (0.54) | ROCK2NPC1RAB9ASMN1; SMN2MAPT | |
| SCHEMBL2713578 | 0.78 | MEN1 (0.40) | AURKAAURKBROCK2SMN1; SMN2SRC | |
| SCHEMBL2206767 | 0.77 | AURKA (0.60) | AURKAAURKBSRCGSK3B | |
| SCHEMBL15725191 | 0.77 | AURKB (0.56) | AURKAAURKBNPC1RAB9AMAPT | |
| SCHEMBL13004285 | 0.77 | AURKA (0.41) | AURKAAURKBSRCNTRK1CYP1A2 |
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-20140141099-A1 | DRUG DISCOVERY METHODS | VERTEX PHARMACEUTICALS INCORPORATED | 2014-05-22 | — | — | US | disclosed |
| US-20140141099-A1 | DRUG DISCOVERY METHODS | VERTEX PHARMACEUTICALS INCORPORATED | 2014-05-22 | — | — | US | disclosed |
| US-20110269732-A1 | DRUG DISCOVERY METHODS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-11-03 | — | — | US | disclosed |
| US-20110269732-A1 | DRUG DISCOVERY METHODS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-11-03 | — | — | US | disclosed |
| WO-2008131103-A2 | DRUG DISCOVERY METHODS FOR AURORA KINASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-10-30 | — | — | WO | 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 (2 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-20140141099-A1 | DRUG DISCOVERY METHODS | AURKB, AURKC, AURKA | AURKA 3/4885AURKB 1/4885ROCK2 115/4885 |
| US-20110269732-A1 | DRUG DISCOVERY METHODS | AURKB, AURKC, AURKA | AURKA 3/4885AURKB 1/4885ROCK2 115/4885 |
“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.