Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 5/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.54 |
| ▸ | GPR84 | Q9NQS5 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 2/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.42 |
| ▸ | TACR2 | P21452 | 2/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL10788513 | 0.98 | PTGS2 (0.55) | PTGS2CYP3A4GPR84NPC1HPGD | |
| SCHEMBL10789776 | 0.98 | PTGS2 (0.55) | PTGS2CYP3A4GPR84NPC1HPGD | |
| SCHEMBL17132056 | 0.98 | PTGS2 (0.55) | PTGS2CYP3A4GPR84NPC1HPGD | |
| SCHEMBL10786757 | 0.98 | PTGS2 (0.55) | PTGS2CYP3A4GPR84NPC1HPGD | |
| SCHEMBL10728370 | 0.93 | MAPK1 (0.54) | PTGS2CYP3A4GPR84NPC1HPGD | |
| SCHEMBL14681829 | 0.88 | PTGS2 (0.50) | PTGS2CYP3A4GPR84NPC1HPGD | |
| SCHEMBL11732278 | 0.88 | PTGS2 (0.47) | PTGS2CYP3A4GPR84NPC1HPGD | |
| SCHEMBL10456934 | 0.83 | NOS3 (0.39) | PTGS2CYP3A4NPC1HPGDMAPK1 | |
| SCHEMBL10144468 | 0.80 | LMNA (0.40) | HTTKDM4EALDH1A1LMNA | |
| SCHEMBL2871788 | 0.80 | PTGS2 (0.68) | PTGS2CYP3A4GPR84NPC1HPGD |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2006081658-A1 | IN SILICO SCREENING FOR SHBG BINDING LIGANDS VIA PHARMACOPHORE MODELS | THE UNIVERSITY OF BRITISH COLUMBIA (CA) | 2006-08-10 | — | — | WO | disclosed |