Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | BACE1 | P56817 | 1/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.32 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.32 |
| ▸ | NOS3 | P29474 | 1/20 | 0.32 |
| ▸ | NOS1 | P29475 | 1/20 | 0.32 |
| ▸ | NOS2 | P35228 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL538823 | 0.81 | NPC1 (0.41) | NPC1ALDH1A1LMNAMAPTMAPK1 | |
| SCHEMBL31206567 | 0.81 | NPC1 (0.41) | NPC1ALDH1A1LMNAMAPTMAPK1 | |
| Hydrochloric Acid SCHEMBL28833637 | 0.79 | NPC1 (0.40) | NPC1ALDH1A1LMNAMAPTMAPK1 | |
| SCHEMBL9735709 | 0.75 | CYP1A2 (0.43) | NPC1ALDH1A1LMNAMAPTMAPK1 | |
| SCHEMBL18243233 | 0.73 | ALDH1A1 (0.41) | NPC1ALDH1A1LMNAMAPTMAPK1 | |
| SCHEMBL7514265 | 0.72 | TRPA1 (0.42) | NPC1ALDH1A1LMNAMAPTMAPK1 | |
| SCHEMBL18242360 | 0.72 | ALDH1A1 (0.40) | NPC1ALDH1A1LMNAMAPTMAPK1 | |
| SCHEMBL18242755 | 0.70 | ALDH1A1 (0.39) | NPC1ALDH1A1LMNAMAPTMAPK1 | |
| SCHEMBL28806591 | 0.69 | NPC1 (0.41) | NPC1ALDH1A1LMNAMAPTMAPK1 | |
| SCHEMBL96518 | 0.69 | ALDH1A1 (0.38) | NPC1ALDH1A1LMNAMAPTMAPK1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1242518-A2 | METHOD FOR PRODUCING SOFT TO SEMIRIGID POLYURETHANE INTEGRAL FOAMED MATERIALS | Bayer Aktiengesellschaft (DE) | 2002-09-25 | — | — | EP | disclosed |
| WO-2001044352-A2 | METHOD FOR PRODUCING SOFT TO SEMIRIGID POLYURETHANE INTEGRAL FOAMED MATERIALS | BAYER AKTIENGESELLSCHAFT (DE) | 2001-06-21 | — | — | WO | disclosed |