Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.45 |
| ▸ | CYP2E1 | P05181 | 3/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.45 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | NAMPT | P43490 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.39 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.39 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.39 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6822491 | 0.88 | MAPK1 (0.41) | CYP2C9CYP2C19CYP3A4CYP19A1GRM2 | |
| SCHEMBL6825658 | 0.86 | CYP2A6 (0.43) | CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL6827688 | 0.85 | CYP2A6 (0.42) | CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL6825775 | 0.81 | MAP4K4 (0.40) | ADORA1 | |
| SCHEMBL8305400 | 0.74 | KDM4E (0.39) | CYP19A1PDE10ACYP11B1MAPK1KMT2A | |
| SCHEMBL6825743 | 0.73 | LATS1 (0.37) | CYP19A1CYP11B1MAPK1KMT2AMEN1 | |
| SCHEMBL6825721 | 0.73 | GRM1 (0.40) | CYP2A6CYP19A1MAPK1KMT2AMEN1 | |
| SCHEMBL6825731 | 0.71 | LATS1 (0.38) | KMT2AMEN1MAPTHPGD | |
| SCHEMBL27249454 | 0.69 | CYP17A1 (0.47) | CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL6825776 | 0.68 | MAP4K4 (0.39) | — |
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-20040214833-A1 | Tricyclic heteroaromatic compounds | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2004-10-28 | — | — | US | disclosed |
| WO-2004089950-A1 | TRICYCLIC HETEROAROMATIC COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2004-10-21 | — | — | 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 (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-20040214833-A1 | Tricyclic heteroaromatic compounds | CYP1A1, SULT2A1, CYP1B1 | CYP2A6 18/4885CYP2E1 12/4885CYP2C9 16/4885 |
“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.