Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.61 |
| ▸ | EPHX1 | P07099 | 6/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28300346 | 1.00 | SIGMAR1 (0.61) | SIGMAR1EPHX1ALDH1A1CYP3A4NPC1 | |
| Iodide SCHEMBL27688321 | 0.98 | SIGMAR1 (0.59) | SIGMAR1EPHX1ALDH1A1CYP3A4NPC1 | |
| SCHEMBL9060289 | 0.98 | SIGMAR1 (0.58) | SIGMAR1EPHX1ALDH1A1CYP3A4NPC1 | |
| SCHEMBL20111343 | 0.93 | — | — | |
| SCHEMBL26085538 | 0.78 | SIGMAR1 (0.38) | SIGMAR1ALDH1A1MAPTKDM4EMAPK1 | |
| SCHEMBL11297848 | 0.77 | SIGMAR1 (0.61) | SIGMAR1EPHX1ALDH1A1CYP3A4NPC1 | |
| SCHEMBL2740862 | 0.76 | SIGMAR1 (1.00) | SIGMAR1EPHX1ALDH1A1CYP3A4NPC1 | |
| SCHEMBL3319896 | 0.76 | SIGMAR1 (1.00) | SIGMAR1EPHX1ALDH1A1CYP3A4NPC1 | |
| SCHEMBL3319901 | 0.76 | SIGMAR1 (1.00) | SIGMAR1EPHX1ALDH1A1CYP3A4NPC1 | |
| SCHEMBL26456614 | 0.76 | SIGMAR1 (1.00) | SIGMAR1EPHX1ALDH1A1CYP3A4NPC1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120183577-A1 | COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-07-19 | — | — | US | disclosed |
| US-8017619-B2 | Compositions useful as inhibitors of protein kinases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-09-13 | — | — | US | disclosed |
| US-20100280026-A1 | COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-11-04 | — | — | 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 (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-20100280026-A1 | COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES | MAP3K20, MAP3K1, MAP3K6 | SIGMAR1 4227/4885EPHX1 2920/4885ALDH1A1 4728/4885 |
| US-20120183577-A1 | COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES | MAP3K20, MAP3K1, MAP3K6 | SIGMAR1 4227/4885EPHX1 2920/4885ALDH1A1 4728/4885 |
“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.