Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 2/20 | 0.70 |
| ▸ | DDAH1 | O94760 | 1/20 | 0.54 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | SPHK2 | Q9NRA0 | 1/20 | 0.48 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | TRPC3 | Q13507 | 1/20 | 0.46 |
| ▸ | TRPC4 | Q9UBN4 | 1/20 | 0.46 |
| ▸ | TRPC5 | Q9UL62 | 1/20 | 0.46 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.46 |
| ▸ | ATP4A | P20648 | 1/20 | 0.46 |
| ▸ | ATP4B | P51164 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL709234 | 0.99 | BCHE (0.68) | BCHEDDAH1POLBSPHK2SPHK1 | |
| SCHEMBL709151 | 0.99 | BCHE (0.72) | BCHEDDAH1POLBSPHK2SPHK1 | |
| Hydrochloric Acid SCHEMBL709235 | 0.96 | BCHE (0.68) | BCHEDDAH1POLBSPHK2SPHK1 | |
| SCHEMBL20677816 | 0.90 | BCHE (0.87) | BCHEDDAH1POLBTDP1TSHR | |
| SCHEMBL20677807 | 0.87 | BCHE (0.87) | BCHEDDAH1POLBTDP1TSHR | |
| SCHEMBL8201381 | 0.83 | BCHE (1.00) | BCHEDDAH1POLBTDP1TSHR | |
| SCHEMBL24247365 | 0.81 | BCHE (0.81) | BCHEDDAH1POLBTDP1TSHR | |
| SCHEMBL11536288 | 0.81 | BCHE (0.70) | BCHEDDAH1POLBTDP1NPC1 | |
| SCHEMBL10144030 | 0.81 | BCHE (0.75) | BCHEDDAH1POLBTDP1TSHR | |
| SCHEMBL370724 | 0.80 | BCHE (0.86) | BCHEDDAH1POLBTDP1TSHR |
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-1910426-A1 | DIENE POLYMERISATION | INEOS EUROPE LIMITED (GB) | 2008-04-16 | — | — | EP | disclosed |
| WO-2007015074-A1 | DIENE POLYMERISATION | INEOS EUROPE LIMITED (GB) | 2007-02-08 | — | — | WO | disclosed |