Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 3/20 | 0.65 |
| ▸ | MAOB | P27338 | 2/20 | 0.65 |
| ▸ | IKBKB | O14920 | 2/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.58 |
| ▸ | POLB | P06746 | 1/20 | 0.58 |
| ▸ | MAPT | P10636 | 1/20 | 0.58 |
| ▸ | HPGD | P15428 | 1/20 | 0.58 |
| ▸ | HTT | P42858 | 1/20 | 0.58 |
| ▸ | MAOA | P21397 | 1/20 | 0.57 |
| ▸ | CCNA2 | P20248 | 3/20 | 0.54 |
| ▸ | CDK2 | P24941 | 3/20 | 0.54 |
| ▸ | EGFR | P00533 | 3/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | SYK | P43405 | 1/20 | 0.49 |
| ▸ | PLK1 | P53350 | 2/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL13439675 | 0.87 | IKBKB (0.61) | GRM5MAOBIKBKBCYP1A2CYP3A4 | |
| SCHEMBL11296762 | 0.86 | IKBKB (0.71) | GRM5MAOBIKBKBCYP1A2CYP3A4 | |
| SCHEMBL11296744 | 0.86 | IKBKB (0.73) | IKBKBCYP1A2CYP3A4CYP2C19KDM4E | |
| SCHEMBL11296836 | 0.86 | KDR (0.61) | GRM5MAOBIKBKBCYP1A2CYP3A4 | |
| SCHEMBL15058636 | 0.84 | GRM5 (0.67) | GRM5MAOBIKBKBMAOACCNA2 | |
| SCHEMBL11297594 | 0.82 | IKBKB (0.78) | IKBKBCYP1A2CYP3A4CYP2C19CCNA2 | |
| SCHEMBL2434868 | 0.81 | CDK2 (0.74) | IKBKBCYP1A2CYP3A4CYP2C19KDM4E | |
| SCHEMBL11299386 | 0.79 | KDR (0.76) | GRM5MAOBMAPTHTTEGFR | |
| SCHEMBL11299366 | 0.79 | IKBKB (0.71) | IKBKBCYP1A2CYP3A4CYP2C19KDM4E | |
| SCHEMBL11299433 | 0.79 | IKBKB (0.71) | IKBKBCYP1A2CYP3A4CYP2C19KDM4E |
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 11 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-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 |
| 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-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 |
| US-20100280026-A1 | COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-11-04 | — | — | US | disclosed |
| US-7700609-B2 | Compositions useful as inhibitors of protein kinases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-04-20 | — | — | US | disclosed |
| US-7700609-B2 | Compositions useful as inhibitors of protein kinases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-04-20 | — | — | US | disclosed |
| EP-1692140-B1 | COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES | VERTEX PHARMA (US) | 2009-12-09 | — | — | EP | 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 | GRM5 3744/4885MAOB 3227/4885IKBKB 540/4885 |
| US-20120183577-A1 | COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES | MAP3K20, MAP3K1, MAP3K6 | GRM5 3744/4885MAOB 3227/4885IKBKB 540/4885 |
“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.