Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.33 |
| ▸ | FAAH | O00519 | 1/20 | 0.32 |
| ▸ | MGLL | Q99685 | 1/20 | 0.32 |
| ▸ | APP | P05067 | 1/20 | 0.32 |
| ▸ | ERN1 | O75460 | 1/20 | 0.31 |
| ▸ | TACR1 | P25103 | 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 | |
|---|---|---|---|---|
| SCHEMBL5704333 | 0.82 | CYP3A4 (0.34) | SLC6A3CYP3A4CYP2D6SLC6A2SLC6A4 | |
| SCHEMBL540882 | 0.78 | ALDH1A1 (0.47) | SLC6A3CYP3A4CYP2D6SLC6A2SLC6A4 | |
| SCHEMBL21495049 | 0.78 | ALDH1A1 (0.47) | SLC6A3CYP3A4CYP2D6SLC6A2SLC6A4 | |
| SCHEMBL28420 | 0.76 | SLC6A3 (0.37) | SLC6A3CYP3A4CYP2D6SLC6A2SLC6A4 | |
| SCHEMBL2631570 | 0.76 | TACR1 (0.36) | SLC6A3CYP3A4CYP2D6SLC6A2SLC6A4 | |
| SCHEMBL16794983 | 0.76 | FAAH (0.36) | SLC6A3CYP3A4CYP2D6SLC6A2SLC6A4 | |
| SCHEMBL1701121 | 0.76 | ADRB1 (0.43) | SLC6A3CYP3A4 | |
| SCHEMBL169020 | 0.76 | ACP3 (0.43) | — | |
| SCHEMBL167914 | 0.76 | HDAC4 (0.44) | CYP3A4CYP2D6 | |
| SCHEMBL4960285 | 0.76 | ACP3 (0.43) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2015088564-A1 | P2X4 RECEPTOR MODULATING COMPOUNDS | SUNOVION PHARMACEUTICALS INC. (US) | 2015-06-18 | — | — | WO | disclosed |
| WO-2015088565-A1 | P2X4 RECEPTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF | SUNOVION PHARMACEUTICALS INC. (US) | 2015-06-18 | — | — | WO | disclosed |
| WO-2009123753-A1 | INHIBITION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-PHENYL DERIVATIVES | NORTH CAROLINA STATE UNIVERSITY (US) | 2009-10-08 | — | — | WO | disclosed |