Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 3/20 | 0.53 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.47 |
| ▸ | TUBB | P07437 | 1/20 | 0.47 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.47 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.47 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.47 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.47 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.47 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.47 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.47 |
| ▸ | TUBA3E | Q6PEY2 | 1/20 | 0.47 |
| ▸ | TUBA1A | Q71U36 | 1/20 | 0.47 |
| ▸ | TUBA1C | Q9BQE3 | 1/20 | 0.47 |
| ▸ | TUBB6 | Q9BUF5 | 1/20 | 0.47 |
| ▸ | TUBB2B | Q9BVA1 | 1/20 | 0.47 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL8348257 | 0.85 | DHFR (0.52) | DHFRTUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL18177440 | 0.80 | DHFR (0.52) | DHFRTUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL31456279 | 0.76 | PTGDR (0.58) | DHFRTUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL20161606 | 0.76 | RAB9A (0.44) | NPC1ALDH1A1MAPK1 | |
| SCHEMBL1122653 | 0.75 | BRAF (0.57) | DHFRTUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL3393795 | 0.73 | DHFR (0.51) | DHFRTUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL20434304 | 0.71 | TLR8 (0.65) | NPC1ALDH1A1LMNATSHRMAPK1 | |
| SCHEMBL16463778 | 0.70 | NUDT1 (0.60) | NPC1ALDH1A1 | |
| SCHEMBL1122847 | 0.70 | BRAF (0.55) | TUBB4ATUBBTUBA3CTUBA1BTUBA4A | |
| SCHEMBL31060856 | 0.69 | DHFR (1.00) | DHFR |
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 316/4885TUBB4A 114/4885TUBB 39/4885 |
“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.