Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.34 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.31 |
| ▸ | WNT3A | P56704 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL15070173 | 0.82 | — | — | |
| SCHEMBL15074597 | 0.79 | CYP2A6 (0.37) | CYP2A6DYRK1ASLC6A2SLC6A4SLC6A3 | |
| SCHEMBL2367900 | 0.75 | CYP2A6 (0.46) | CYP2A6DYRK1ACTNNB1WNT3ACA12 | |
| SCHEMBL2344449 | 0.75 | CYP2A6 (0.46) | CYP2A6DYRK1ACTNNB1WNT3ACA12 | |
| SCHEMBL29733470 | 0.75 | CYP2A6 (0.46) | CYP2A6DYRK1ACTNNB1WNT3ACA12 | |
| SCHEMBL457633 | 0.75 | CYP2A6 (0.46) | CYP2A6DYRK1ACTNNB1WNT3ACA12 | |
| SCHEMBL29733472 | 0.75 | CYP2A6 (0.46) | CYP2A6DYRK1ACTNNB1WNT3ACA12 | |
| SCHEMBL14041414 | 0.75 | CYP2A6 (0.46) | CYP2A6DYRK1ACTNNB1WNT3ACA12 | |
| SCHEMBL13572445 | 0.75 | CYP2A6 (0.46) | CYP2A6DYRK1ACTNNB1WNT3ACA12 | |
| SCHEMBL164774 | 0.74 | CYP2A6 (0.50) | CYP2A6DYRK1ACTNNB1WNT3ACA12 |
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-20130165464-A1 | HETEROARYLS AND USES THEREOF | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2013-06-27 | — | — | US | disclosed |
| US-20130165483-A1 | HETEROARYLS AND USES THEREOF | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2013-06-27 | — | — | 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 (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-20130165483-A1 | HETEROARYLS AND USES THEREOF | PIK3R5, PIK3R4, PIK3C2B | CYP2A6 869/4885DYRK1A 4042/4885SLC6A2 3302/4885 |
| US-20130165464-A1 | HETEROARYLS AND USES THEREOF | PIK3C2B, PI4KB, PIK3R4 | CYP2A6 541/4885DYRK1A 3965/4885SLC6A2 3088/4885 |
“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.