Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 2/20 | 0.41 |
| ▸ | CNR1 | P21554 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | GMNN | O75496 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL648265 | 0.79 | KMT2A (0.47) | CNR2CNR1KMT2AMAPTTP53 | |
| SCHEMBL6305239 | 0.78 | KMT2A (0.46) | CNR2CNR1KMT2AMAPTTP53 | |
| SCHEMBL649236 | 0.78 | CNR1 (0.41) | CNR2CNR1KMT2AMAPTTP53 | |
| SCHEMBL649235 | 0.77 | TLR8 (0.46) | CNR2CNR1KMT2AMAPTTP53 | |
| SCHEMBL23400347 | 0.73 | KMT2A (0.49) | CNR2CNR1KMT2AMAPTTP53 | |
| SCHEMBL6683026 | 0.73 | KMT2A (0.39) | CNR2CNR1KMT2AMAPTTP53 | |
| SCHEMBL649234 | 0.73 | KMT2A (0.39) | CNR2CNR1KMT2AMAPTTP53 | |
| SCHEMBL27574894 | 0.72 | CYP2C9 (0.58) | CNR2CNR1KMT2AMAPTTP53 | |
| SCHEMBL6617222 | 0.71 | KMT2A (0.38) | CNR2CNR1KMT2AMAPTTP53 | |
| SCHEMBL23399624 | 0.71 | KMT2A (0.47) | CNR2CNR1KMT2AMAPTTP53 |
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-1322309-A4 | HIGH AFFINITY SMALL MOLECULE C5A RECEPTOR MODULATORS | NEUROGEN CORP (US) | 2004-10-13 | — | — | EP | disclosed |
| EP-1322309-A2 | HIGH AFFINITY SMALL MOLECULE C5A RECEPTOR MODULATORS | Neurogen Corporation (US) | 2003-07-02 | — | — | EP | disclosed |
| WO-2002049993-A2 | HIGH AFFINITY SMALL MOLECULE C5A RECEPTOR MODULATORS | NEUROGEN CORPORATION (US) | 2002-06-27 | — | — | WO | disclosed |