Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | DAO | P14920 | 1/20 | 0.43 |
| ▸ | MAP2K1 | Q02750 | 2/20 | 0.41 |
| ▸ | KCNA2 | P16389 | 1/20 | 0.41 |
| ▸ | KCNA6 | P17658 | 1/20 | 0.41 |
| ▸ | NT5E | P21589 | 1/20 | 0.41 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.41 |
| ▸ | KCNA4 | P22459 | 1/20 | 0.41 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.41 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL11612130 | 0.81 | MAP2K1 (0.55) | DAOMAP2K1KCNA2KCNA6NT5E | |
| SCHEMBL3422729 | 0.80 | DAO (0.54) | DAOMAP2K1KCNA2KCNA6NT5E | |
| SCHEMBL24080898 | 0.78 | CREBBP (0.51) | CYP1A2CYP3A4CYP2C19DAOKCNA6 | |
| SCHEMBL1827611 | 0.78 | HDAC1 (0.60) | MAPTKDM4EALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL23628950 | 0.78 | NPC1 (0.48) | MAPTKDM4EALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL11607646 | 0.78 | MAP2K1 (0.52) | DAOMAP2K1KCNA2KCNA6NT5E | |
| SCHEMBL11605882 | 0.76 | MAP2K1 (0.50) | DAOMAP2K1KCNA2KCNA6NT5E | |
| SCHEMBL3552074 | 0.75 | DRD2 (0.67) | KDM4EALDH1A1 | |
| SCHEMBL21126993 | 0.75 | MAP2K1 (0.52) | MAP2K1MAPTKDM4EALDH1A1HPGD | |
| SCHEMBL12999930 | 0.74 | GPR84 (0.41) | CYP1A2CYP3A4CYP2C19MCL1MAPT |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7713958-B2 | Compounds and compositions as protein kinase inhibitors | IRM LLC (BM) | 2010-05-11 | — | — | US | disclosed |
| US-20090137555-A1 | Compounds and Compositions as Protein Kinase Inhibitors | IRM LLC (BM) | 2009-05-28 | — | — | US | disclosed |
| US-7423031-B2 | Compounds and compositions as protein kinase inhibitors | IRM LLC (BM) | 2008-09-09 | — | — | US | disclosed |
| US-20050153955-A1 | Compounds and compositions as protein kinase inhibitors | IRM LLC (BM) | 2005-07-14 | — | — | US | disclosed |
| WO-2004098520-A2 | COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS | IRM LLC (BM) | 2004-11-18 | — | — | 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-20050153955-A1 | Compounds and compositions as protein kinase inhibitors | CDK1, CDK3, CDK11A | CYP1A2 3621/4885CYP3A4 2830/4885CYP2C19 2650/4885 |
| US-20090137555-A1 | Compounds and Compositions as Protein Kinase Inhibitors | CDK1, CDK3, CDK2 | CYP1A2 3847/4885CYP3A4 3026/4885CYP2C19 2462/4885 |
“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.