Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | BCHE | P06276 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | BLM | P54132 | 1/20 | 0.45 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.44 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 2/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | LTA4H | P09960 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL5573953 | 0.90 | ROCK2 (0.42) | CYP2D6ACKR3MEN1KMT2APOLB | |
| SCHEMBL12090266 | 0.80 | BCHE (0.59) | CYP2D6ACKR3MEN1KMT2APOLB | |
| SCHEMBL4930886 | 0.79 | ALDH1A1 (0.46) | CYP2D6MEN1KMT2ACYP3A4CYP2C9 | |
| SCHEMBL4927429 | 0.79 | ROCK2 (0.55) | BCHEROCK1ROCK2ACHEDRD2 | |
| SCHEMBL4148646 | 0.77 | KDM4C (0.45) | ROCK1ROCK2 | |
| SCHEMBL4919690 | 0.76 | ROCK2 (0.54) | MEN1KMT2APOLBBCHEROCK1 | |
| SCHEMBL4930989 | 0.76 | MKNK1 (0.44) | — | |
| SCHEMBL15286143 | 0.73 | KDM4C (0.65) | ACKR3CYP1A2CYP3A4CYP2C9BCHE | |
| SCHEMBL4930924 | 0.72 | CYP2C9 (0.50) | ACKR3CYP2C9BCHE | |
| SCHEMBL4933041 | 0.72 | GRIN2B (0.50) | CYP2D6CYP3A4CYP2C9 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080194584-A1 | Nitrogen Heteroaromatic Compounds Which Bind To The Active Site Of Protein Kinase Enzymes | GALAPAGOS NV (BE) | 2008-08-14 | — | — | 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-20080194584-A1 | Nitrogen Heteroaromatic Compounds Which Bind To The Active Site Of Protein Kinase Enzymes | ROCK1, TNK2, GRK1 | CYP2D6 2175/4885ACKR3 1109/4885MEN1 2131/4885 |
“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.