Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMPD1 | P17405 | 5/20 | 0.50 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | CNR1 | P21554 | 1/20 | 0.45 |
| ▸ | CNR2 | P34972 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | THRA | P10827 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8330318 | 0.81 | POLB (0.53) | MAPTCNR2GAATDP1 | |
| SCHEMBL23748725 | 0.79 | PPARA (0.52) | SMPD1MAPTHTTGAA | |
| SCHEMBL6019714 | 0.77 | SMPD1 (0.41) | SMPD1MAPTHTTGAA | |
| SCHEMBL18309190 | 0.77 | SMPD1 (0.52) | SMPD1HSP90AA1MAPTTHRATHRB | |
| SCHEMBL7514249 | 0.75 | PLA2G2A (0.51) | SMPD1THRATHRB | |
| SCHEMBL28715731 | 0.75 | MAOA (0.53) | SMPD1MAPTL3MBTL1 | |
| SCHEMBL16087725 | 0.75 | ACHE (0.52) | SMPD1MAPTCNR2L3MBTL1 | |
| SCHEMBL12432397 | 0.75 | ACHE (0.52) | — | |
| SCHEMBL20556507 | 0.75 | THRB (0.60) | SMPD1THRATHRB | |
| SCHEMBL14930509 | 0.74 | SMPD1 (0.67) | SMPD1MAPTTHRATHRB |
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 |
|---|---|---|---|---|---|---|---|
| US-5986131-A | UNSATURATED CARBOXYLIC ACID DERIVATIVES AS LIGANDS AND RETINOIC ACID RECEPTORS | HOFFMANN-LA ROCHE INC. (US) | 1999-11-16 | — | — | US | disclosed |
| EP-0728742-B1 | Novel retinoids | HOFFMANN LA ROCHE (CH) | 1999-10-20 | — | — | EP | disclosed |
| EP-0728742-A2 | Novel retinoids | F. HOFFMANN-LA ROCHE AG (CH) | 1996-08-28 | — | — | EP | disclosed |