Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.38 |
| ▸ | NOS2 | P35228 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | DHFR | P00374 | 3/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | HEXA | P06865 | 1/20 | 0.33 |
| ▸ | HEXB | P07686 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10399548 | 0.79 | NOS3 (0.39) | NOS3NOS2PARP1CYP3A4SMN1; SMN2 | |
| SCHEMBL21604163 | 0.77 | NOS3 (0.42) | NOS3NOS2PARP1CYP3A4SMN1; SMN2 | |
| SCHEMBL17987117 | 0.77 | S1PR4 (0.41) | CYP3A4SMN1; SMN2ALDH1A1TDP1TSHR | |
| SCHEMBL28350212 | 0.77 | NOS2 (0.43) | NOS3NOS2SMN1; SMN2ALDH1A1SLC6A3 | |
| SCHEMBL10271989 | 0.76 | PARP1 (0.34) | NOS3NOS2PARP1CYP3A4ALDH1A1 | |
| SCHEMBL20110642 | 0.74 | ALDH1A1 (0.35) | NOS3NOS2PARP1CYP3A4ALDH1A1 | |
| SCHEMBL24590757 | 0.73 | MBOAT4 (0.40) | PARP1CYP3A4SMN1; SMN2ALDH1A1DHFR | |
| SCHEMBL25542889 | 0.73 | CYP1A2 (0.33) | PARP1CYP3A4SMN1; SMN2ALDH1A1DHFR | |
| SCHEMBL29923201 | 0.72 | NOS3 (0.34) | NOS3NOS2PARP1CYP3A4SMN1; SMN2 | |
| SCHEMBL29847754 | 0.71 | — | — |
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 9 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 |
| US-5086181-A | Promoter for animal feeds; animal growth regulators | BAYER AKTIENGESELLSCHAFT (DE) | 1992-02-04 | — | — | US | disclosed |
| US-4988694-A | Promoters for animal growth regulators for animal feeds | BAYER AKTIENGESELLSCHAFT (DE) | 1991-01-29 | — | — | US | disclosed |
| EP-0339345-A2 | 4-Bromo-6-chloro-5-amino-2-pyridyl-ethanol amines, process for their preparation and their use as performance stimulators | BAYER AG (DE) | 1989-11-02 | — | — | EP | 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 | NOS3 3602/4885NOS2 2977/4885PARP1 866/4885 |
“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.