Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 10/20 | 0.50 |
| ▸ | SLC6A4 | P31645 | 10/20 | 0.50 |
| ▸ | SLC6A3 | Q01959 | 10/20 | 0.50 |
| ▸ | HTR1A | P08908 | 9/20 | 0.50 |
| ▸ | KDM1A | O60341 | 2/20 | 0.45 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.34 |
| ▸ | NTRK3 | Q16288 | 1/20 | 0.34 |
| ▸ | NTRK2 | Q16620 | 1/20 | 0.34 |
| ▸ | PRKACA | P17612 | 1/20 | 0.33 |
| ▸ | PRKACG | P22612 | 1/20 | 0.33 |
| ▸ | PRKACB | P22694 | 1/20 | 0.33 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.33 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL14830108 | 0.89 | SLC6A2 (0.41) | SLC6A2SLC6A4SLC6A3HTR1AKDM1A | |
| SCHEMBL14839568 | 0.79 | KCNH2 (0.43) | SLC6A2SLC6A3KDM1APRKACAPRKACG | |
| SCHEMBL25235278 | 0.78 | SMN1; SMN2 (0.40) | HTR1A | |
| SCHEMBL25237779 | 0.78 | SMN1; SMN2 (0.40) | HTR1A | |
| SCHEMBL11509481 | 0.77 | HTR1A (0.58) | SLC6A2SLC6A4SLC6A3HTR1AKDM1A | |
| SCHEMBL24005407 | 0.73 | PRKACA (0.36) | SLC6A2SLC6A4SLC6A3HTR1APRKACA | |
| SCHEMBL5054635 | 0.73 | HTR2A (0.37) | PRKACAPRKACGPRKACBPOLB | |
| SCHEMBL23136984 | 0.73 | PRKACA (0.45) | SLC6A2SLC6A3PRKACAPRKACGPRKACB | |
| SCHEMBL29748038 | 0.73 | HTR2C (0.43) | SLC6A2SLC6A3KDM1APRKACAPRKACG | |
| SCHEMBL30463847 | 0.73 | PRKACA (0.45) | SLC6A2SLC6A3PRKACAPRKACGPRKACB |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2751088-B1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMA (US) | 2016-04-13 | — | — | EP | disclosed |
| US-8765751-B2 | Compounds useful as inhibitors of ATR kinase | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-07-01 | — | — | US | disclosed |
| US-20130089624-A1 | Compounds Useful as Inhibitors of ATR Kinase | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-04-11 | — | — | US | disclosed |
| WO-2013049719-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-04-04 | — | — | 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-20130089624-A1 | Compounds Useful as Inhibitors of ATR Kinase | ATR, CHEK1, PLK1 | SLC6A2 4134/4885SLC6A4 4373/4885SLC6A3 4197/4885 |
“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.