Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 5/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.38 |
| ▸ | RIPK1 | Q13546 | 4/20 | 0.37 |
| ▸ | GLS | O94925 | 1/20 | 0.36 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.35 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.35 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 2/20 | 0.35 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.34 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.34 |
| ▸ | KDM1A | O60341 | 2/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.33 |
| ▸ | CTSL | P07711 | 1/20 | 0.33 |
| ▸ | CTSB | P07858 | 1/20 | 0.33 |
| ▸ | CTSS | P25774 | 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 | |
|---|---|---|---|---|
| SCHEMBL506679 | 1.00 | HTR2C (0.38) | HTR2CSLC6A4RIPK1GLSCACNA1G | |
| SCHEMBL14829667 | 0.83 | ALDH1A1 (0.40) | HTR2CSLC6A4RIPK1GLSCACNA1G | |
| SCHEMBL14838574 | 0.83 | ALDH1A1 (0.40) | HTR2CSLC6A4RIPK1GLSCACNA1G | |
| SCHEMBL18416938 | 0.78 | SSTR4 (0.40) | HTR2CSLC6A4RIPK1GLSCACNA1G | |
| SCHEMBL506165 | 0.78 | HTR2C (0.36) | HTR2CSLC6A4RIPK1GLSCACNA1G | |
| SCHEMBL506166 | 0.78 | HTR2C (0.36) | HTR2CSLC6A4RIPK1GLSCACNA1G | |
| SCHEMBL7430459 | 0.77 | RIPK1 (0.59) | HTR2CSLC6A4RIPK1HTR2AMCHR1 | |
| SCHEMBL506105 | 0.77 | RIPK1 (0.40) | HTR2CSLC6A4RIPK1GLSCACNA1G | |
| SCHEMBL506457 | 0.76 | GRM2 (0.40) | HTR2CSLC6A4RIPK1GLSCACNA1G | |
| SCHEMBL20692404 | 0.75 | HTR2C (0.38) | HTR2CSLC6A4RIPK1GLSCACNA1G |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9630956-B2 | Compounds useful as inhibitors of ATR kinase | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2017-04-25 | — | — | US | disclosed |
| US-20120027874-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-02-02 | — | — | 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 (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-20120027874-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | ATR, CHEK1, CHEK2 | HTR2C 4405/4885SLC6A4 4773/4885RIPK1 66/4885 |
“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.