Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 4/20 | 0.48 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.39 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.36 |
| ▸ | PDK4 | Q16654 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL17666843 | 0.92 | HTR2C (0.46) | HTR2CTRPA1ATMCHRNB2CHRNA4 | |
| SCHEMBL8954635 | 0.90 | HTR2C (0.44) | HTR2CTRPA1ATMCHRNB2CHRNA4 | |
| SCHEMBL4301114 | 0.90 | HTR2C (0.44) | HTR2CTRPA1ATMCHRNB2CHRNA4 | |
| SCHEMBL22781622 | 0.87 | HTR2C (0.42) | HTR2CTRPA1ATMCHRNB2CHRNA4 | |
| SCHEMBL28960410 | 0.84 | HTR2C (0.41) | HTR2CTRPA1ATM | |
| SCHEMBL16956125 | 0.77 | HTR2C (0.74) | HTR2CTRPA1ATMMEN1KMT2A | |
| SCHEMBL929830 | 0.77 | MEN1 (0.50) | HTR2CCHRNB2CHRNA4MEN1KMT2A | |
| SCHEMBL3992205 | 0.77 | MEN1 (0.50) | HTR2CCHRNB2CHRNA4MEN1KMT2A | |
| SCHEMBL23258472 | 0.76 | HTR2C (0.43) | HTR2CNOTUMPDK2PDK4HDAC4 | |
| SCHEMBL6152672 | 0.76 | CHRNB2 (0.58) | CHRNB2CHRNA4NOTUMMEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011002409-A1 | 5H-PYRROLO[3,4-£>]PYRAZIN-7-AMINE DERIVATIVES INHIBITORS OF BETA-SECRETASE | ASTRAZENECA AB (SE) | 2011-01-06 | — | — | WO | disclosed |
| WO-2010056194-A1 | 5H-PYRROLO [ 3, 4-B] PYRIDIN DERIVATIVES AND THEIR USE | ASTRAZENECA AB (SE) | 2010-05-20 | — | — | WO | disclosed |