Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTA4H | P09960 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | S1PR2 | O95136 | 2/20 | 0.40 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | HSD17B14 | Q9BPX1 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.39 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.39 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.39 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.39 |
| ▸ | BACE1 | P56817 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL21166298 | 0.83 | LTA4H (0.44) | LTA4HNPC1RAB9ASMN1; SMN2S1PR2 | |
| SCHEMBL30929761 | 0.83 | ALDH1A1 (0.49) | NPC1RAB9ASMN1; SMN2LMNACNR2 | |
| SCHEMBL21166259 | 0.83 | ALDH1A1 (0.49) | NPC1RAB9ASMN1; SMN2LMNACNR2 | |
| SCHEMBL22594425 | 0.77 | LTA4H (0.49) | LTA4HNPC1RAB9ASMN1; SMN2CES2 | |
| SCHEMBL10627250 | 0.75 | HSD17B14 (0.49) | LTA4HNPC1RAB9ASMN1; SMN2CES2 | |
| SCHEMBL21166297 | 0.74 | RAB9A (0.48) | NPC1RAB9ASMN1; SMN2LMNAMAPK1 | |
| SCHEMBL163288 | 0.72 | NPC1 (0.44) | LTA4HNPC1RAB9ASMN1; SMN2HSD17B14 | |
| SCHEMBL21841442 | 0.71 | S1PR2 (0.52) | RAB9AS1PR2KCNQ3KCNQ2KCNE1 | |
| SCHEMBL164886 | 0.71 | ALDH1A1 (0.55) | NPC1LMNAHSD17B14MAPK1TSHR | |
| SCHEMBL8151883 | 0.71 | HSD17B14 (0.55) | LTA4HNPC1CES2CES1HSD17B14 |
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 6 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 |
| 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 | LTA4H 2426/4885NPC1 2786/4885RAB9A 3413/4885 |
“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.