Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.41 |
| ▸ | FABP1 | P07148 | 1/20 | 0.41 |
| ▸ | FABP6 | P51161 | 1/20 | 0.41 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.40 |
| ▸ | BRD4 | O60885 | 1/20 | 0.40 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | HTR1D | P28221 | 1/20 | 0.39 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.39 |
| ▸ | KDM1A | O60341 | 2/20 | 0.38 |
| ▸ | MAOB | P27338 | 2/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5879518 | 0.91 | CYP1A2 (0.47) | CYP1A2CYP2C19CXCR4FABP1FABP6 | |
| SCHEMBL5798269 | 0.79 | CYP1A2 (0.50) | CYP1A2CYP2C19CXCR4FABP1FABP6 | |
| SCHEMBL4720018 | 0.79 | HRH4 (0.51) | CYP1A2CXCR4FABP1FABP6IRAK4 | |
| SCHEMBL4522025 | 0.75 | CXCR4 (0.49) | CYP1A2CYP2C19CXCR4FABP1FABP6 | |
| Hydrochloric Acid SCHEMBL21641198 | 0.74 | CXCR4 (0.47) | CYP1A2CYP2C19CXCR4FABP1FABP6 | |
| Hydrochloric Acid SCHEMBL30585800 | 0.74 | CXCR4 (0.47) | CYP1A2CYP2C19CXCR4FABP1FABP6 | |
| SCHEMBL3265804 | 0.72 | CYP1A2 (0.70) | CYP1A2CYP2C19CXCR4FABP1FABP6 | |
| SCHEMBL25422820 | 0.71 | IRAK4 (0.50) | IRAK4 | |
| SCHEMBL13326544 | 0.71 | IRAK4 (0.50) | IRAK4 | |
| SCHEMBL18973376 | 0.71 | SLC6A4 (0.45) | SLC6A2SLC6A4SLC6A3KDM1AMAOB |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7105508-B1 | Integrin receptors antagonists | ABBOTT GMBH & CO. KG (DE) | 2006-09-12 | — | — | US | disclosed |
| CN-1374960-A | novel integrin receptor antagonists | BASF AG (DE) | 2002-10-16 | — | — | CN | disclosed |
| EP-1202988-A2 | NOVEL INTEGRIN RECEPTOR ANTAGONISTS | BASF AKTIENGESELLSCHAFT (DE) | 2002-05-08 | — | — | EP | disclosed |
| WO-2001010847-A2 | NOVEL INTEGRIN RECEPTOR ANTAGONISTS | BASF AKTIENGESELLSCHAFT (DE) | 2001-02-15 | — | — | WO | disclosed |