Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 5/20 | 0.37 |
| ▸ | CA1 | P00915 | 5/20 | 0.37 |
| ▸ | CA2 | P00918 | 5/20 | 0.37 |
| ▸ | CA9 | Q16790 | 5/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.36 |
| ▸ | EDNRB | P24530 | 1/20 | 0.36 |
| ▸ | EDNRA | P25101 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.35 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.35 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.35 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.35 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.35 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.33 |
| ▸ | CHRNG | P07510 | 1/20 | 0.33 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL796973 | 0.83 | CRHR1 (0.36) | CA12CA1CA2CA9EDNRB | |
| SCHEMBL7599196 | 0.83 | CA12 (0.37) | CA12CA1CA2CA9CYP2A6 | |
| Hydrochloric Acid SCHEMBL8606095 | 0.83 | CA12 (0.39) | CA12CA1CA2CA9CYP2A6 | |
| Hydrochloric Acid SCHEMBL7583797 | 0.83 | CA12 (0.37) | CA12CA1CA2CA9CYP2A6 | |
| SCHEMBL797656 | 0.77 | CRHR1 (0.36) | CA12CA1CA2CA9CYP2A6 | |
| SCHEMBL20609436 | 0.72 | CYP2A6 (0.55) | CA12CA1CA2CA9CYP2A6 | |
| SCHEMBL7601267 | 0.71 | CA12 (0.34) | CA12CA1CA2CA9MCL1 | |
| SCHEMBL4622250 | 0.71 | EDNRB (0.36) | CA12CA1CA2CA9EDNRB | |
| Methane SCHEMBL7937872 | 0.71 | EGFR (0.34) | CA12CA1CA2CA9CYP2A6 | |
| SCHEMBL5779310 | 0.68 | MCL1 (0.46) | CA12CA1CA2CA9CYP2A6 |
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 |
|---|---|---|---|---|---|---|---|
| US-6410665-B1 | POLYMERIZATION COORDINATION CATALYST FOR ALPHA-OLEFIN | BASELL POLYOLEFINE GMBH (DE) | 2002-06-25 | — | — | US | claimed |
| US-6410665-B1 | POLYMERIZATION COORDINATION CATALYST FOR ALPHA-OLEFIN | BASELL POLYOLEFINE GMBH (DE) | 2002-06-25 | — | — | US | disclosed |