Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | NAAA | Q02083 | 1/20 | 0.37 |
| ▸ | BTK | Q06187 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | FAAH | O00519 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL14829350 | 0.91 | BACE1 (0.39) | ALDH1A1HPGDLMNASMN1; SMN2HTT | |
| SCHEMBL14830109 | 0.84 | ALDH1A1 (0.35) | ALDH1A1HPGDHSD17B10KMT2ALMNA | |
| SCHEMBL14839832 | 0.83 | CYP2C19 (0.37) | ALDH1A1HPGDKMT2ALMNASMN1; SMN2 | |
| SCHEMBL14839981 | 0.77 | TRPV1 (0.35) | ALDH1A1KMT2ASMN1; SMN2MEN1 | |
| SCHEMBL6943077 | 0.74 | BACE1 (0.41) | ALDH1A1HPGDLMNASMN1; SMN2HTT | |
| SCHEMBL381670 | 0.73 | MMP3 (0.50) | ALDH1A1LMNASMN1; SMN2HTTNPC1 | |
| Trifluoroacetic Acid SCHEMBL14829650 | 0.68 | KCNH2 (0.43) | HPGDNAAANPC1RAB9APOLB | |
| SCHEMBL14839957 | 0.68 | TRPV1 (0.35) | — | |
| SCHEMBL14839755 | 0.67 | CHRM2 (0.36) | ALDH1A1HPGD | |
| SCHEMBL28239603 | 0.66 | MAOB (0.33) | — |
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-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 | ALDH1A1 4297/4885HPGD 3898/4885HSD17B10 4074/4885 |
“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.