Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 4/20 | 0.35 |
| ▸ | CA1 | P00915 | 2/20 | 0.34 |
| ▸ | CA2 | P00918 | 2/20 | 0.34 |
| ▸ | CA4 | P22748 | 2/20 | 0.34 |
| ▸ | CA6 | P23280 | 2/20 | 0.34 |
| ▸ | BACE1 | P56817 | 2/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.31 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.31 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.31 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.31 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
| ▸ | CYP4B1 | P13584 | 1/20 | 0.31 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.31 |
| ▸ | CYP2A7 | P20853 | 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 | |
|---|---|---|---|---|
| SCHEMBL8606721 | 0.92 | ACHE (0.35) | ACHECA1CA2CA4CA6 | |
| SCHEMBL796857 | 0.88 | CA1 (0.31) | ACHECA1CA2CA4CA6 | |
| SCHEMBL7601527 | 0.82 | CA1 (0.35) | ACHECA1CA2CA4CA6 | |
| Hydrochloric Acid SCHEMBL8606724 | 0.81 | CA1 (0.34) | ACHECA1CA2CA4CA6 | |
| Hydrochloric Acid SCHEMBL8606714 | 0.64 | CA1 (0.35) | ACHECA1CA2CA4CA6 | |
| SCHEMBL8604673 | 0.62 | — | — | |
| Hydrochloric Acid SCHEMBL27478129 | 0.62 | METAP1 (0.41) | ACHECA1CA2CA4CA6 | |
| Methyl Alcohol SCHEMBL29235314 | 0.60 | CYP11B1 (0.65) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2B6 | |
| SCHEMBL20101688 | 0.59 | CYP1A2 (0.57) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2B6 | |
| SCHEMBL5286981 | 0.59 | BRD4 (0.55) | ADORA1CYP1A2CYP3A4CYP2D6CYP2C9 |
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 3 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 |
| US-6255531-B1 | POLYMERIZATION CATALYSTS | TARGOR GMBH (DE) | 2001-07-03 | — | — | US | disclosed |