Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.47 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.45 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.42 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.42 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.42 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.42 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.42 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.42 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 0.42 |
| ▸ | EGFR | P00533 | 4/20 | 0.41 |
| ▸ | KDR | P35968 | 4/20 | 0.41 |
| ▸ | TYMS | P04818 | 4/20 | 0.40 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.40 |
| ▸ | FEN1 | P39748 | 1/20 | 0.40 |
| ▸ | LCK | P06239 | 2/20 | 0.39 |
| ▸ | SRC | P12931 | 1/20 | 0.39 |
| ▸ | ZAP70 | P43403 | 1/20 | 0.39 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 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 | |
|---|---|---|---|---|
| SCHEMBL30588970 | 0.79 | TYMS (0.61) | PARP1CHEK1GRIN2DGRIN3BGRIN1 | |
| SCHEMBL16509138 | 0.79 | CHEK1 (0.46) | PARP1CHEK1EGFRTYMS | |
| SCHEMBL1367742 | 0.79 | TYMS (0.61) | PARP1CHEK1GRIN2DGRIN3BGRIN1 | |
| SCHEMBL1366483 | 0.78 | PDGFRB (0.57) | PARP1CHEK1GRIN2DGRIN3BGRIN1 | |
| SCHEMBL3110872 | 0.69 | CHEK1 (0.55) | PARP1CHEK1GRIN2DGRIN3BGRIN1 | |
| SCHEMBL29734052 | 0.69 | CHEK1 (0.55) | PARP1CHEK1GRIN2DGRIN3BGRIN1 | |
| Potassium SCHEMBL3642930 | 0.67 | CHEK1 (0.54) | PARP1CHEK1GRIN2DGRIN3BGRIN1 | |
| SCHEMBL3777833 | 0.67 | CHEK1 (0.54) | PARP1CHEK1GRIN2DGRIN3BGRIN1 | |
| SCHEMBL31619545 | 0.67 | ERCC5 (0.53) | CHEK1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL6009055 | 0.67 | ERCC5 (0.53) | CHEK1GRIN2DGRIN3BGRIN1GRIN2A |
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-20170246170-A1 | Tricyclic Compounds Having Antimitotic and/or Antitumor Activity and Methods of Use Thereof | DUQUESNE UNIVERSITY OF THE HOLY SPIRIT | 2017-08-31 | — | — | US | disclosed |
| US-9556198-B2 | Tricyclic compounds having antimitotic and/or antitumor activity and methods of use thereof | DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) | 2017-01-31 | — | — | US | disclosed |
| US-20150232477-A1 | Tricyclic Compounds Having Antimitotic and/or Antitumor Activity and Methods of Use Thereof | DUQUESNE UNIVERSITY OF THE HOLY SPIRIT | 2015-08-20 | — | — | US | disclosed |
| US-9045489-B2 | Tricyclic compounds having antimitotic and/or antitumor activity and methods of use thereof | DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) | 2015-06-02 | — | — | US | disclosed |
| US-20130096146-A1 | Tricyclic Compounds Having Antimitotic and/or Antitumor Activity and Methods of Use Thereof | DUQUESNE UNIVERSITY OF THE HOLY SPIRIT | 2013-04-18 | — | — | 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 (3 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-20130096146-A1 | Tricyclic Compounds Having Antimitotic and/or Antitumor Activity and Methods of Use Thereof | ABCG2, ABCC1, ABCB1 | PARP1 375/4885CHEK1 120/4885GRIN2D 4485/4885 |
| US-20150232477-A1 | Tricyclic Compounds Having Antimitotic and/or Antitumor Activity and Methods of Use Thereof | ABCC1, ABCG2, TP53 | PARP1 376/4885CHEK1 120/4885GRIN2D 4373/4885 |
| US-20170246170-A1 | Tricyclic Compounds Having Antimitotic and/or Antitumor Activity and Methods of Use Thereof | ABCC1, ABCG2, TP53 | PARP1 376/4885CHEK1 120/4885GRIN2D 4373/4885 |
“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.