Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.49 |
| ▸ | RAB9A | P51151 | 4/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | TYR | P14679 | 2/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | HSPA5 | P11021 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.37 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.37 |
| ▸ | MIF | P14174 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2549469 | 0.90 | NPC1 (0.50) | NPC1RAB9ASMN1; SMN2ALDH1A1POLB | |
| SCHEMBL29365942 | 0.87 | NPC1 (0.64) | NPC1RAB9ASMN1; SMN2ALDH1A1POLB | |
| SCHEMBL208288 | 0.87 | NPC1 (0.64) | NPC1RAB9ASMN1; SMN2ALDH1A1POLB | |
| Bumetrizole SCHEMBL8056551 | 0.86 | NPC1 (0.53) | NPC1RAB9ASMN1; SMN2ALDH1A1POLB | |
| SCHEMBL22589019 | 0.86 | NPC1 (0.50) | NPC1RAB9ASMN1; SMN2ALDH1A1POLB | |
| Bumetrizole SCHEMBL8054070 | 0.86 | NPC1 (0.53) | NPC1RAB9ASMN1; SMN2ALDH1A1POLB | |
| Bumetrizole SCHEMBL23734 | 0.86 | NPC1 (0.53) | NPC1RAB9ASMN1; SMN2ALDH1A1POLB | |
| SCHEMBL22606047 | 0.86 | NPC1 (0.50) | NPC1RAB9ASMN1; SMN2ALDH1A1POLB | |
| Bumetrizole SCHEMBL8603228 | 0.86 | NPC1 (0.53) | NPC1RAB9ASMN1; SMN2ALDH1A1POLB | |
| Bumetrizole SCHEMBL2398487 | 0.86 | NPC1 (0.53) | NPC1RAB9ASMN1; SMN2ALDH1A1POLB |
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-2061831-B1 | A METHOD FOR PREPARING HIGH CONCENTRATION PELLETIZED ADDITIVE CONCENTRATES FOR POLYMER | INGENIA POLYMERS INC (US) | 2012-03-28 | — | — | EP | disclosed |