Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.53 |
| ▸ | HTR6 | P50406 | 8/20 | 0.50 |
| ▸ | BACE1 | P56817 | 1/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.37 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.37 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | PTGER4 | P35408 | 2/20 | 0.34 |
| ▸ | ALDH3A1 | P30838 | 2/20 | 0.33 |
| ▸ | ALDH1A3 | P47895 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL17094913 | 0.90 | CYP2A6 (0.57) | CYP2A6HTR6BACE1HDAC3HDAC4 | |
| SCHEMBL3204278 | 0.80 | CYP2A6 (0.60) | CYP2A6HTR6BACE1HDAC3HDAC4 | |
| SCHEMBL2976905 | 0.74 | CYP2A6 (0.49) | CYP2A6HTR6BACE1HDAC3HDAC4 | |
| SCHEMBL2134757 | 0.73 | CYP2A6 (0.51) | CYP2A6HTR6HDAC3HDAC4HDAC1 | |
| SCHEMBL900726 | 0.72 | HTR6 (0.65) | CYP2A6HTR6HDAC3HDAC4HDAC1 | |
| SCHEMBL17913573 | 0.72 | RAPGEF4 (0.64) | CYP2A6HTR6BACE1HDAC3HDAC4 | |
| SCHEMBL1126156 | 0.72 | CYP2A6 (0.62) | CYP2A6BACE1PTGER4ALDH1A1 | |
| SCHEMBL29952158 | 0.72 | CYP2A6 (0.62) | CYP2A6BACE1PTGER4ALDH1A1 | |
| SCHEMBL1125855 | 0.70 | CYP2A6 (1.00) | CYP2A6MEN1KMT2AALDH1A3GAA | |
| SCHEMBL29954047 | 0.70 | CYP2A6 (1.00) | CYP2A6MEN1KMT2AALDH1A3GAA |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8268858-B2 | e.g. 5-(3-methoxybenzyloxy)-1H-pyrrolo[2,3-b]pyridine; protein kinases inhibitor; central nervous system disorders; Alzheimer's disease; Parkinson's disease; anticancer, antitumor agents; analgesics; cogestive heart failure; skin disorders; inflammatory bowel disorders; transplant rejection | PLEXXIKON INC. (US) | 2012-09-18 | — | — | US | disclosed |
| US-8268858-B2 | e.g. 5-(3-methoxybenzyloxy)-1H-pyrrolo[2,3-b]pyridine; protein kinases inhibitor; central nervous system disorders; Alzheimer's disease; Parkinson's disease; anticancer, antitumor agents; analgesics; cogestive heart failure; skin disorders; inflammatory bowel disorders; transplant rejection | PLEXXIKON INC. (US) | 2012-09-18 | — | — | US | disclosed |
| US-8268858-B2 | e.g. 5-(3-methoxybenzyloxy)-1H-pyrrolo[2,3-b]pyridine; protein kinases inhibitor; central nervous system disorders; Alzheimer's disease; Parkinson's disease; anticancer, antitumor agents; analgesics; cogestive heart failure; skin disorders; inflammatory bowel disorders; transplant rejection | PLEXXIKON INC. (US) | 2012-09-18 | — | — | US | disclosed |
| US-20080188514-A1 | COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR | PLEXXIKON INC | 2008-08-07 | — | — | US | disclosed |
| US-20080188514-A1 | COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR | PLEXXIKON INC | 2008-08-07 | — | — | US | disclosed |
| US-20080188514-A1 | COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR | PLEXXIKON INC | 2008-08-07 | — | — | US | disclosed |
| WO-2008079909-A1 | PYRROLO [2,3-B] PYRIDINES AS KINASE MODULATORS | PLEXXIKON, INC. (US) | 2008-07-03 | — | — | 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-20080188514-A1 | COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR | MAP3K20, MAP3K13, MAP3K8 | CYP2A6 4605/4885HTR6 4013/4885BACE1 2999/4885 |
“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.