Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 7/20 | 0.50 |
| ▸ | RAB9A | P51151 | 7/20 | 0.50 |
| ▸ | POLB | P06746 | 3/20 | 0.46 |
| ▸ | HSPA5 | P11021 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | MAPT | P10636 | 5/20 | 0.34 |
| ▸ | HPGD | P15428 | 3/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3067219 | 0.94 | NPC1 (0.46) | NPC1RAB9APOLBHSPA5LMNA | |
| SCHEMBL7931282 | 0.90 | NPC1 (0.51) | NPC1RAB9APOLBHSPA5LMNA | |
| SCHEMBL8962738 | 0.89 | NPC1 (0.50) | NPC1RAB9APOLBHSPA5LMNA | |
| SCHEMBL551722 | 0.88 | HSPA5 (0.49) | NPC1RAB9APOLBHSPA5LMNA | |
| SCHEMBL30507646 | 0.88 | HSPA5 (0.49) | NPC1RAB9APOLBHSPA5LMNA | |
| SCHEMBL6153043 | 0.88 | HSPA5 (0.60) | NPC1RAB9APOLBHSPA5LMNA | |
| SCHEMBL7932017 | 0.87 | NPC1 (0.46) | NPC1RAB9APOLBHSPA5LMNA | |
| SCHEMBL3072177 | 0.86 | NPC1 (0.39) | NPC1RAB9APOLBHSPA5LMNA | |
| SCHEMBL31267541 | 0.85 | NPC1 (0.66) | NPC1RAB9APOLBHSPA5LMNA | |
| SCHEMBL258759 | 0.85 | NPC1 (0.66) | NPC1RAB9APOLBHSPA5LMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-1095956-A2 | Thermoset Polyurethane resin and method for the production thereof | Mitsui Chemicals, Inc. (JP) | 2001-05-02 | — | — | EP | disclosed |