Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX15 | P16050 | 2/20 | 0.51 |
| ▸ | SLC6A1 | P30531 | 2/20 | 0.50 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.50 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.50 |
| ▸ | SLC6A12 | P48065 | 2/20 | 0.50 |
| ▸ | SLC6A11 | P48066 | 2/20 | 0.50 |
| ▸ | SLC6A13 | Q9NSD5 | 2/20 | 0.50 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.50 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.50 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | SMYD3 | Q9H7B4 | 2/20 | 0.43 |
| ▸ | FUCA1 | P04066 | 1/20 | 0.42 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.42 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.42 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
| ▸ | NAMPT | P43490 | 3/20 | 0.40 |
| ▸ | KDM1A | O60341 | 2/20 | 0.38 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL617850 | 1.00 | ALOX15 (0.51) | ALOX15SLC6A1GABRA5GABRB2SLC6A12 | |
| SCHEMBL9044696 | 1.00 | ALOX15 (0.51) | ALOX15SLC6A1GABRA5GABRB2SLC6A12 | |
| Hydrochloric Acid SCHEMBL715763 | 0.98 | ALOX15 (0.50) | ALOX15SLC6A1GABRA5GABRB2SLC6A12 | |
| Hydrochloric Acid SCHEMBL715762 | 0.98 | ALOX15 (0.50) | ALOX15SLC6A1GABRA5GABRB2SLC6A12 | |
| SCHEMBL3952147 | 0.89 | PBK (0.45) | ALOX15SLC6A1SLC6A11SLC6A13TSHR | |
| SCHEMBL13186049 | 0.89 | PBK (0.45) | ALOX15SLC6A1SLC6A11SLC6A13TSHR | |
| SCHEMBL13212506 | 0.89 | PBK (0.45) | ALOX15SLC6A1SLC6A11SLC6A13TSHR | |
| SCHEMBL3417010 | 0.88 | ALOX15 (0.64) | ALOX15TSHRSMYD3FUCA1MTNR1A | |
| Hydrochloric Acid SCHEMBL28551740 | 0.86 | ALOX15 (0.62) | ALOX15TSHRSMYD3FUCA1MTNR1A | |
| SCHEMBL7391975 | 0.86 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140113005-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-04-24 | — | — | US | disclosed |
| US-8410112-B2 | Compounds useful as inhibitors of ATR kinase | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-04-02 | — | — | US | disclosed |
| US-8410112-B2 | Compounds useful as inhibitors of ATR kinase | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-04-02 | — | — | US | disclosed |
| US-8410112-B2 | Compounds useful as inhibitors of ATR kinase | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-04-02 | — | — | US | disclosed |
| US-20120040020-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-02-16 | — | — | US | disclosed |
| US-20120040020-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-02-16 | — | — | US | disclosed |
| US-20120040020-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-02-16 | — | — | US | disclosed |
| EP-2370424-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | Vertex Pharmaceuticals Incorporated (US) | 2011-10-05 | — | — | EP | disclosed |
| WO-2010054398-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-05-14 | — | — | WO | disclosed |
| WO-2010054398-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-05-14 | — | — | 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 (2 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-20140113005-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | ATR, CHEK2, CHEK1 | ALOX15 4046/4885SLC6A1 4398/4885GABRA5 3613/4885 |
| US-20120040020-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | ATR, CHEK2, CHEK1 | ALOX15 4046/4885SLC6A1 4398/4885GABRA5 3613/4885 |
“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.