Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 3/20 | 0.53 |
| ▸ | APP | P05067 | 1/20 | 0.51 |
| ▸ | PDE5A | O76074 | 1/20 | 0.46 |
| ▸ | KDR | P35968 | 3/20 | 0.46 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.46 |
| ▸ | EGFR | P00533 | 2/20 | 0.46 |
| ▸ | CLK2 | P49760 | 1/20 | 0.46 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.46 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.46 |
| ▸ | BRD4 | O60885 | 1/20 | 0.45 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.44 |
| ▸ | TUBB | P07437 | 1/20 | 0.44 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.44 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.44 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.44 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.44 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.44 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.44 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.44 |
| ▸ | TUBA3E | Q6PEY2 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL16146908 | 0.79 | DHFR (0.50) | DHFRAPPPDE5AKDREGFR | |
| SCHEMBL16146909 | 0.75 | BRAF (0.69) | DHFRPDE5AHDAC1 | |
| SCHEMBL3393795 | 0.75 | DHFR (0.51) | DHFRAPPPDE5ATUBB4ATUBB | |
| SCHEMBL18177432 | 0.69 | DHFR (0.53) | DHFRTUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL31060856 | 0.69 | DHFR (1.00) | DHFR | |
| SCHEMBL18177440 | 0.69 | DHFR (0.52) | DHFRPDE5ATUBB4ATUBBTUBA3C | |
| SCHEMBL8348257 | 0.69 | DHFR (0.52) | DHFRPDE5ATUBB4ATUBBTUBA3C | |
| SCHEMBL10269254 | 0.68 | TTBK1 (0.50) | CLK2AURKBCLK4 | |
| SCHEMBL7958023 | 0.67 | HRH4 (0.45) | — | |
| SCHEMBL25353997 | 0.67 | HTT (0.63) | APPPDE5AKDREGFR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160311795-A1 | PYRIMIDINE DIAMINE DERIVATIVES AS INHIBITORS OF CYTOSOLIC HSP90 | CALASIA PHARMACEUTICALS, INC. | 2016-10-27 | — | — | US | disclosed |
| US-20160311795-A1 | PYRIMIDINE DIAMINE DERIVATIVES AS INHIBITORS OF CYTOSOLIC HSP90 | CALASIA PHARMACEUTICALS, INC. | 2016-10-27 | — | — | 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-20160311795-A1 | PYRIMIDINE DIAMINE DERIVATIVES AS INHIBITORS OF CYTOSOLIC HSP90 | HSP90B1, HSP90AB2P, HSPE1 | DHFR 316/4885APP 3106/4885PDE5A 3322/4885 |
“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.