Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 3/20 | 0.43 |
| ▸ | SCN3A | Q9NY46 | 2/20 | 0.43 |
| ▸ | CTSK | P43235 | 1/20 | 0.38 |
| ▸ | KDM1A | O60341 | 5/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.36 |
| ▸ | S1PR4 | O95977 | 2/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.36 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.36 |
| ▸ | S1PR5 | Q9H228 | 2/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | METTL3 | Q86U44 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.34 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.34 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.34 |
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 SCHEMBL14829349 | 0.88 | KDM1A (0.44) | CTSKKDM1AMETTL3 | |
| SCHEMBL14839568 | 0.88 | KCNH2 (0.43) | KCNH2SCN3ACTSKKDM1ACYP19A1 | |
| Trifluoroacetic Acid SCHEMBL14830108 | 0.83 | SLC6A2 (0.41) | KCNH2KDM1A | |
| Trifluoroacetic Acid SCHEMBL14837280 | 0.83 | KDM1A (0.47) | CTSKKDM1AMETTL3 | |
| Trifluoroacetic Acid SCHEMBL14839831 | 0.82 | KDM1A (0.47) | CTSKKDM1AMETTL3 | |
| Trifluoroacetic Acid SCHEMBL14830111 | 0.82 | CTSK (0.38) | CTSKKDM1AHDAC1METTL3HDAC6 | |
| SCHEMBL14837281 | 0.81 | CTSK (0.36) | CTSKKDM1AS1PR4S1PR1S1PR3 | |
| Trifluoroacetic Acid SCHEMBL14829608 | 0.77 | CTSK (0.39) | CTSKHDAC1NPC1RAB9AHDAC7 | |
| Trifluoroacetic Acid SCHEMBL14829510 | 0.77 | PRKACA (0.44) | CTSKKDM1A | |
| SCHEMBL19580550 | 0.76 | NISCH (0.40) | KDM1A |
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 |
|---|---|---|---|---|---|---|---|
| EP-2751088-B1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMA (US) | 2016-04-13 | — | — | EP | disclosed |
| EP-2751088-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | Vertex Pharmaceuticals Incorporated (US) | 2014-07-09 | — | — | 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 | KCNH2 2933/4885SCN3A 2938/4885CTSK 2008/4885 |
“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.