Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.32 |
| ▸ | CASP1 | P29466 | 5/20 | 0.32 |
| ▸ | CASP7 | P55210 | 5/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.32 |
| ▸ | CLK4 | Q9HAZ1 | 4/20 | 0.32 |
| ▸ | USP2 | O75604 | 3/20 | 0.32 |
| ▸ | GLA | P06280 | 3/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | KDR | P35968 | 3/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | EGFR | P00533 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL13373303 | 0.86 | KDR (0.31) | ALDH1A1CYP1A2CASP1CASP7HSD17B10 | |
| SCHEMBL11298967 | 0.84 | — | — | |
| SCHEMBL13373311 | 0.80 | ALDH1A1 (0.33) | ALDH1A1CYP1A2CASP1CASP7HSD17B10 | |
| SCHEMBL11297865 | 0.79 | IKBKB (0.36) | ALDH1A1CYP1A2CASP1CASP7HSD17B10 | |
| SCHEMBL13373284 | 0.77 | ADORA2A (0.32) | ALDH1A1CYP1A2CASP1CASP7HSD17B10 | |
| SCHEMBL13373304 | 0.76 | ALDH1A1 (0.32) | ALDH1A1CYP1A2CASP1CASP7HSD17B10 | |
| SCHEMBL13373280 | 0.73 | CCNT1 (0.40) | ALDH1A1CYP1A2CASP1CASP7HSD17B10 | |
| SCHEMBL13373314 | 0.70 | ALDH1A1 (0.31) | ALDH1A1CYP1A2CASP1CASP7HSD17B10 | |
| SCHEMBL13373313 | 0.65 | IKBKB (0.35) | ALDH1A1CYP1A2MEN1KMT2ACYP2C19 | |
| SCHEMBL11295055 | 0.65 | NPC1 (0.38) | TSHRKDREGFR |
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-8288400-B2 | Compositions useful as inhibitors of protein kinases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-10-16 | — | — | US | disclosed |
| US-20120183577-A1 | COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-07-19 | — | — | 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-20120183577-A1 | COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES | MAP3K20, MAP3K1, MAP3K6 | ALDH1A1 4728/4885CYP1A2 4630/4885CASP1 4495/4885 |
“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.