Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 4/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.52 |
| ▸ | AURKA | O14965 | 3/20 | 0.42 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.42 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.42 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.42 |
| ▸ | KIT | P10721 | 2/20 | 0.42 |
| ▸ | BRAF | P15056 | 2/20 | 0.42 |
| ▸ | JAK2 | O60674 | 1/20 | 0.42 |
| ▸ | BMPR1B | O00238 | 1/20 | 0.42 |
| ▸ | PLK4 | O00444 | 1/20 | 0.42 |
| ▸ | PIR | O00625 | 1/20 | 0.42 |
| ▸ | DCLK1 | O15075 | 1/20 | 0.42 |
| ▸ | EPHB6 | O15197 | 1/20 | 0.42 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.42 |
| ▸ | STK16 | O75716 | 1/20 | 0.42 |
| ▸ | OXSR1 | O95747 | 1/20 | 0.42 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.42 |
| ▸ | ABL1 | P00519 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3711170 | 0.91 | CYP2C9 (0.56) | CYP2C9CYP3A4CYP2C19AURKANTRK1 | |
| SCHEMBL2888343 | 0.88 | CYP2C9 (0.74) | CYP2C9CYP3A4CYP2C19KITBRAF | |
| SCHEMBL298063 | 0.85 | CYP3A4 (0.53) | CYP2C9CYP3A4CYP2C19AURKAKIT | |
| SCHEMBL3705924 | 0.85 | CYP2C19 (0.51) | CYP2C9CYP3A4CYP2C19AURKAKIT | |
| SCHEMBL298077 | 0.84 | CYP2C9 (0.80) | CYP2C9CYP3A4CYP2C19AURKAKIT | |
| SCHEMBL2888460 | 0.84 | CYP3A4 (0.75) | CYP2C9CYP3A4CYP2C19BRAFRIPK2 | |
| SCHEMBL2351754 | 0.83 | BRAF (0.49) | CYP2C9CYP3A4CYP2C19AURKAKIT | |
| SCHEMBL294006 | 0.83 | CYP2C19 (0.74) | CYP2C9CYP3A4CYP2C19BRAFRIPK2 | |
| SCHEMBL2353910 | 0.82 | CYP2C19 (0.47) | CYP2C9CYP3A4CYP2C19AURKAKIT | |
| SCHEMBL3506735 | 0.81 | BRAF (0.53) | CYP2C9CYP3A4CYP2C19AURKAKIT |
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 |
|---|---|---|---|---|---|---|---|
| US-8268858-B2 | e.g. 5-(3-methoxybenzyloxy)-1H-pyrrolo[2,3-b]pyridine; protein kinases inhibitor; central nervous system disorders; Alzheimer's disease; Parkinson's disease; anticancer, antitumor agents; analgesics; cogestive heart failure; skin disorders; inflammatory bowel disorders; transplant rejection | PLEXXIKON INC. (US) | 2012-09-18 | — | — | US | disclosed |
| US-20120122860-A1 | SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS | PLEXXIKON, INC. | 2012-05-17 | — | — | US | disclosed |
| WO-2010129570-A1 | SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS | PLEXXIKON, INC. (US) | 2010-11-11 | — | — | WO | disclosed |
| US-20080188514-A1 | COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR | PLEXXIKON INC | 2008-08-07 | — | — | 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 (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-20120122860-A1 | SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS | BRAF, RAF1, ARAF | CYP2C9 2176/4885CYP3A4 3611/4885CYP2C19 2730/4885 |
| US-20080188514-A1 | COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR | MAP3K20, MAP3K13, MAP3K8 | CYP2C9 4746/4885CYP3A4 4658/4885CYP2C19 4579/4885 |
“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.