Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 3/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 4/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | HPGD | P15428 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.46 |
| ▸ | FDPS | P14324 | 1/20 | 0.44 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | PTGES | O14684 | 1/20 | 0.42 |
| ▸ | PPARG | P37231 | 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 | |
|---|---|---|---|---|
| SCHEMBL7255399 | 0.83 | AKR1C3 (0.46) | AKR1C3CYP2C9NPSR1NPC1RAB9A | |
| SCHEMBL4576841 | 0.83 | FDPS (0.57) | AKR1C3CYP2C9NPSR1NPC1RAB9A | |
| SCHEMBL7255384 | 0.82 | AKR1C3 (0.48) | AKR1C3CYP2C9NPSR1NPC1RAB9A | |
| SCHEMBL7259956 | 0.80 | FDPS (0.56) | CYP2C9NPSR1NPC1RAB9AMAPT | |
| SCHEMBL23085881 | 0.78 | ALDH1A1 (0.57) | AKR1C3ALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL6324586 | 0.78 | ALDH1A1 (0.57) | AKR1C3CYP2C9NPSR1NPC1RAB9A | |
| SCHEMBL9077155 | 0.78 | TACR2 (0.54) | AKR1C3NPSR1MAPTALDH1A1SMN1; SMN2 | |
| SCHEMBL5213944 | 0.78 | TACR2 (0.54) | AKR1C3NPSR1MAPTALDH1A1SMN1; SMN2 | |
| SCHEMBL6229249 | 0.78 | FDPS (0.63) | CYP2C9NPSR1NPC1RAB9AMAPT | |
| SCHEMBL9078005 | 0.78 | FDPS (0.72) | CYP2C9NPSR1NPC1RAB9AMAPT |
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-2003070239-A1 | BENZYLIDENE THIAZOLIDINEDIONES AND THEIR USE AS ANTIMYCOTIC AGENTS | OXFORD GLYCOSCIENCES (UK) LTD (GB) | 2003-08-28 | — | — | WO | disclosed |