Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 4/20 | 0.37 |
| ▸ | MEN1 | O00255 | 4/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | NPC1 | O15118 | 3/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.36 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.36 |
| ▸ | BCHE | P06276 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 4/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | IP6K1 | Q92551 | 1/20 | 0.36 |
| ▸ | CRHBP | P24387 | 1/20 | 0.34 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL14395256 | 0.78 | CYP2A6 (0.43) | CYP2A6POLBMEN1KMT2AKDM4E | |
| SCHEMBL3652518 | 0.76 | CYP2A6 (0.39) | CYP2A6MEN1KMT2AALDH1A1NPC1 | |
| SCHEMBL3649210 | 0.76 | SMN1; SMN2 (0.39) | CYP2A6POLBKDM4EALDH1A1NPC1 | |
| SCHEMBL23447590 | 0.72 | KDM4E (0.50) | POLBMEN1KMT2AKDM4EALDH1A1 | |
| SCHEMBL13087451 | 0.71 | KDM4E (0.46) | CYP2A6POLBMEN1KMT2AKDM4E | |
| SCHEMBL3990051 | 0.69 | — | — | |
| SCHEMBL3052521 | 0.68 | BACE1 (0.47) | MEN1KMT2AKDM4EALDH1A1NPC1 | |
| SCHEMBL6169523 | 0.66 | — | — | |
| SCHEMBL14270899 | 0.66 | — | — | |
| SCHEMBL6838819 | 0.65 | MAOB (0.42) | KMT2AKDM4EALDH1A1NPC1TDP1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100261736-A1 | SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF CARDIOVASCULAR DISEASE | LAMPE THOMAS | 2010-10-14 | — | — | US | disclosed |
| US-20100261736-A1 | SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF CARDIOVASCULAR DISEASE | LAMPE THOMAS | 2010-10-14 | — | — | US | disclosed |
| US-20100261736-A1 | SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF CARDIOVASCULAR DISEASE | LAMPE THOMAS | 2010-10-14 | — | — | US | disclosed |
| EP-2167482-A1 | SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF CARDIOVASCULAR DISEASES | Bayer Schering Pharma AG (DE) | 2010-03-31 | — | — | EP | disclosed |
| WO-2008155017-A1 | SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF CARDIOVASCULAR DISEASES | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2008-12-24 | — | — | WO | disclosed |
| WO-2008155017-A1 | SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF CARDIOVASCULAR DISEASES | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2008-12-24 | — | — | 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-20100261736-A1 | SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF CARDIOVASCULAR DISEASE | HMGCR, PCSK9, FABP3 | CYP2A6 168/4885POLB 1155/4885MEN1 3217/4885 |
“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.