Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 13/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 10/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 9/20 | 0.56 |
| ▸ | CLK4 | Q9HAZ1 | 5/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.56 |
| ▸ | RECQL | P46063 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 9/20 | 0.51 |
| ▸ | USP1 | O94782 | 7/20 | 0.51 |
| ▸ | WDR48 | Q8TAF3 | 7/20 | 0.51 |
| ▸ | TSHR | P16473 | 6/20 | 0.51 |
| ▸ | MEN1 | O00255 | 3/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | LMNA | P02545 | 3/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | USP2 | O75604 | 4/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL785399 | 0.75 | CYP1A2 (0.63) | CYP1A2CYP2D6CYP2C19CLK4CYP2C9 | |
| SCHEMBL13300121 | 0.75 | CYP1A2 (0.63) | CYP1A2CYP2D6CYP2C19CLK4CYP2C9 | |
| SCHEMBL855855 | 0.73 | GAA (0.45) | MEN1KMT2AALDH1A1MAPTHPGD | |
| SCHEMBL14529448 | 0.72 | CYP1A2 (0.59) | CYP1A2CYP2D6CYP2C19CLK4CYP2C9 | |
| SCHEMBL14529187 | 0.72 | CYP1A2 (1.00) | CYP1A2CYP2D6CYP2C19CLK4CYP2C9 | |
| SCHEMBL13728852 | 0.71 | CYP1A2 (0.48) | CYP1A2CYP2D6CYP2C19CLK4CYP2C9 | |
| SCHEMBL8390254 | 0.71 | USP1 (0.55) | CYP1A2CYP2D6CYP2C19CLK4CYP2C9 | |
| SCHEMBL856172 | 0.71 | ABCG2 (0.43) | CYP1A2RECQLMEN1KMT2ALMNA | |
| SCHEMBL7954324 | 0.69 | CYP11B2 (0.44) | CYP1A2CYP2D6CYP2C19CYP2C9CYP3A4 | |
| SCHEMBL6344165 | 0.69 | PIK3R1 (0.50) | CYP1A2CYP2D6CYP2C19CLK4CYP2C9 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8653088-B2 | Compositions useful as inhibitors of protein kinases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-02-18 | — | — | US | claimed |
| US-20090325968-A1 | Compositions Useful as Inhibitors of Protein Kinases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2009-12-31 | — | — | US | claimed |
| US-20040192682-A1 | Compositions useful as inhibitors of protein kinases | VERTEX PHARMACEUTICALS INCORPORATED | 2004-09-30 | — | — | US | claimed |
| WO-2004072029-A2 | PYRAZOLOPYRIDAZINES USEFUL AS INHIBITORS OF PROTEIN KINASES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2004-08-26 | — | — | WO | claimed |
| US-8653088-B2 | Compositions useful as inhibitors of protein kinases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-02-18 | — | — | US | disclosed |
| US-20090325968-A1 | Compositions Useful as Inhibitors of Protein Kinases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2009-12-31 | — | — | US | disclosed |
| US-7601718-B2 | Compositions useful as inhibitors of protein kinases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2009-10-13 | — | — | US | disclosed |
| US-20040192682-A1 | Compositions useful as inhibitors of protein kinases | VERTEX PHARMACEUTICALS INCORPORATED | 2004-09-30 | — | — | US | disclosed |
| WO-2004072029-A2 | PYRAZOLOPYRIDAZINES USEFUL AS INHIBITORS OF PROTEIN KINASES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2004-08-26 | — | — | 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-20040192682-A1 | Compositions useful as inhibitors of protein kinases | GSK3A, GSK3B, CSNK1A1 | CYP1A2 3655/4885CYP2D6 3544/4885CYP2C19 3277/4885 |
| US-20090325968-A1 | Compositions Useful as Inhibitors of Protein Kinases | GSK3A, GSK3B, GSKIP | CYP1A2 4275/4885CYP2D6 3992/4885CYP2C19 3560/4885 |
“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.