Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.49 |
| ▸ | POLB | P06746 | 3/20 | 0.49 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.41 |
| ▸ | NOS3 | P29474 | 1/20 | 0.41 |
| ▸ | NOS1 | P29475 | 1/20 | 0.41 |
| ▸ | NOS2 | P35228 | 1/20 | 0.41 |
| ▸ | MPO | P05164 | 1/20 | 0.39 |
| ▸ | TPO | P07202 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | EPX | P11678 | 1/20 | 0.39 |
| ▸ | PPARG | P37231 | 1/20 | 0.39 |
| ▸ | C1S | P09871 | 1/20 | 0.39 |
| ▸ | BRD4 | O60885 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL112702 | 0.82 | POLB (0.50) | SMN1; SMN2HSP90AA1POLBHSP90AB1CYP3A4 | |
| SCHEMBL27787209 | 0.81 | MPO (0.45) | NPC1RAB9ASMN1; SMN2POLBNOS3 | |
| SCHEMBL9323212 | 0.81 | POLB (0.49) | SMN1; SMN2HSP90AA1POLBPPARGC1S | |
| SCHEMBL27787219 | 0.79 | RAB9A (0.56) | NPC1RAB9ASMN1; SMN2HSP90AA1POLB | |
| SCHEMBL27765143 | 0.78 | RAB9A (0.58) | NPC1RAB9ASMN1; SMN2HSP90AA1POLB | |
| SCHEMBL16399558 | 0.76 | ALDH1A1 (0.46) | NPC1RAB9ASMN1; SMN2POLBHSP90AB1 | |
| SCHEMBL27765141 | 0.76 | RAB9A (0.60) | NPC1RAB9ASMN1; SMN2HSP90AA1POLB | |
| SCHEMBL14872325 | 0.75 | NOS2 (0.52) | NPC1RAB9ASMN1; SMN2HSP90AA1POLB | |
| SCHEMBL13189280 | 0.75 | RAB9A (0.42) | NPC1RAB9ASMN1; SMN2POLBNOS3 | |
| SCHEMBL19405126 | 0.75 | NOS2 (0.69) | NOS3NOS1NOS2 |
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-20120058984-A1 | PYRIMIDINE DERIVATIVES USED AS ITK INHIBITORS | GLAXO GROUP LIMITED (GB) | 2012-03-08 | — | — | US | disclosed |
| US-20120058984-A1 | PYRIMIDINE DERIVATIVES USED AS ITK INHIBITORS | GLAXO GROUP LIMITED (GB) | 2012-03-08 | — | — | US | disclosed |
| EP-2408769-A1 | PYRIMIDINE DERIVATIVES USED AS ITK INHIBITORS | Glaxo Group Limited (GB) | 2012-01-25 | — | — | EP | disclosed |
| WO-2010106016-A1 | PYRIMIDINE DERIVATIVES USED AS ITK INHIBITORS | GLAXO GROUP LIMITED (GB) | 2010-09-23 | — | — | WO | disclosed |
| WO-2010106016-A1 | PYRIMIDINE DERIVATIVES USED AS ITK INHIBITORS | GLAXO GROUP LIMITED (GB) | 2010-09-23 | — | — | 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-20120058984-A1 | PYRIMIDINE DERIVATIVES USED AS ITK INHIBITORS | DTYMK, ITK, DCK | NPC1 2786/4885RAB9A 3413/4885SMN1; SMN2 4393/4885 |
“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.