Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IP6K1 | Q92551 | 6/20 | 0.58 |
| ▸ | IP6K3 | Q96PC2 | 3/20 | 0.49 |
| ▸ | IP6K2 | Q9UHH9 | 3/20 | 0.49 |
| ▸ | CTSV | O60911 | 2/20 | 0.46 |
| ▸ | CTSL | P07711 | 2/20 | 0.46 |
| ▸ | ELANE | P08246 | 1/20 | 0.46 |
| ▸ | KDM1A | O60341 | 1/20 | 0.45 |
| ▸ | PDPK1 | O15530 | 2/20 | 0.43 |
| ▸ | EGFR | P00533 | 2/20 | 0.43 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.43 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.42 |
| ▸ | IRAK1 | P51617 | 1/20 | 0.42 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.42 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.42 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.42 |
| ▸ | KDR | P35968 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | PARP1 | P09874 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL1013586 | 0.92 | IP6K1 (0.62) | IP6K1IP6K3IP6K2CTSVCTSL | |
| SCHEMBL156504 | 0.92 | IP6K1 (0.62) | IP6K1IP6K3IP6K2CTSVCTSL | |
| Hydrochloric Acid SCHEMBL27988350 | 0.91 | IP6K1 (0.60) | IP6K1IP6K3IP6K2CTSVCTSL | |
| SCHEMBL20897397 | 0.90 | IP6K1 (0.69) | IP6K1IP6K3IP6K2CTSVCTSL | |
| SCHEMBL14520678 | 0.83 | IP6K1 (0.63) | IP6K1IP6K3IP6K2PDPK1PIK3CD | |
| SCHEMBL4226040 | 0.83 | IP6K1 (0.57) | IP6K1IP6K3IP6K2CTSVCTSL | |
| SCHEMBL3660808 | 0.82 | SRC (0.56) | IP6K1IP6K3IP6K2EGFRPARP1 | |
| SCHEMBL7206263 | 0.81 | KDR (0.50) | IP6K1CTSVCTSLELANEKDM1A | |
| SCHEMBL17165598 | 0.81 | IP6K1 (0.63) | IP6K1IP6K3IP6K2CTSVCTSL | |
| SCHEMBL4230633 | 0.81 | IP6K1 (0.63) | IP6K1IP6K3IP6K2PDPK1EGFR |
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-8609673-B2 | Vandetanib derivatives | CONCERT PHARMACEUTICALS, INC. (US) | 2013-12-17 | — | — | US | disclosed |
| US-20110117084-A1 | VANDETANIB DERIVATIVES | CONCERT PHARMACEUTICALS, INC. (US) | 2011-05-19 | — | — | US | disclosed |
| WO-2009094210-A1 | VANDETANIB DERIVATIVES | CONCERT PHARMACEUTICALS INC. (US) | 2009-07-30 | — | — | WO | disclosed |
| WO-2009094211-A1 | QUINAZOLINE COMPOUNDS AND METHODS OF TREATING CANCER | CONCERT PHARMACEUTICALS INC. (US) | 2009-07-30 | — | — | 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 (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-20110117084-A1 | VANDETANIB DERIVATIVES | KDR, VHL, FLT4 | IP6K1 862/4885IP6K3 462/4885IP6K2 708/4885 |
“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.