Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | C5AR1 | P21730 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | ICMT | O60725 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | CRHR1 | P34998 | 3/20 | 0.39 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.39 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.38 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.38 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.37 |
| ▸ | UBE2M | P61081 | 2/20 | 0.37 |
| ▸ | DCUN1D1 | Q96GG9 | 2/20 | 0.37 |
| ▸ | DHFR | P00374 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL650105 | 0.95 | C5AR1 (0.46) | C5AR1MEN1KMT2ATSHRCRHR1 | |
| SCHEMBL649523 | 0.93 | MEN1 (0.46) | C5AR1MEN1KMT2ACNR2TSHR | |
| SCHEMBL5137122 | 0.93 | MEN1 (0.46) | C5AR1MEN1KMT2ACNR2TSHR | |
| SCHEMBL648166 | 0.91 | C5AR1 (0.43) | C5AR1MEN1KMT2ATSHRCRHR1 | |
| SCHEMBL651220 | 0.89 | C5AR1 (0.41) | C5AR1MEN1KMT2AICMTTRPV4 | |
| SCHEMBL5134817 | 0.89 | CRHR1 (0.43) | C5AR1MEN1KMT2ACRHR1TRPV4 | |
| SCHEMBL649941 | 0.89 | C5AR1 (0.41) | C5AR1MEN1KMT2ATSHRCRHR1 | |
| SCHEMBL5136656 | 0.88 | C5AR1 (0.46) | C5AR1MEN1KMT2ACNR2ICMT | |
| SCHEMBL5135739 | 0.88 | C5AR1 (0.48) | C5AR1MEN1KMT2ATSHRCRHR1 | |
| SCHEMBL5137883 | 0.88 | TSHR (0.48) | C5AR1TSHRKDM4EALDH1A1CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1490044-A4 | COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS | NEUROGEN CORP (US) | 2008-04-16 | — | — | EP | disclosed |
| EP-1490044-A1 | COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS | NEUROGEN CORPORATION (US) | 2004-12-29 | — | — | EP | disclosed |
| WO-2003084524-A1 | COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS | NEUROGEN CORPORATION (US) | 2003-10-16 | — | — | WO | disclosed |