Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 3/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | ACACB | O00763 | 1/20 | 0.32 |
| ▸ | ACACA | Q13085 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
| ▸ | HRH1 | P35367 | 1/20 | 0.32 |
| ▸ | DRD3 | P35462 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | CYP4F2 | P78329 | 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 | |
|---|---|---|---|---|
| SCHEMBL8842792 | 0.84 | CA2 (0.45) | CA2MAPK1 | |
| SCHEMBL22181478 | 0.82 | GPR84 (0.47) | CA2MAPK1 | |
| SCHEMBL4106618 | 0.81 | CHRM1 (0.41) | CA2MAPK1CHRM1AKR1A1CHRM3 | |
| Ammonia Solution, Strong SCHEMBL27840513 | 0.81 | GPR84 (0.46) | CA2MAPK1 | |
| SCHEMBL9871824 | 0.81 | CA2 (0.34) | CA2MAPK1ACACBACACA | |
| Ammonia Solution, Strong SCHEMBL27914146 | 0.81 | GPR84 (0.46) | CA2MAPK1 | |
| SCHEMBL8689396 | 0.80 | TSHR (0.38) | CA2MAPK1ACACBACACACHRM1 | |
| SCHEMBL28816528 | 0.79 | FFAR4 (0.49) | TDP1HSD17B10PPARA | |
| SCHEMBL1823104 | 0.78 | TSHR (0.38) | CA2MAPK1HSD17B10 | |
| SCHEMBL6945282 | 0.76 | ACACB (0.44) | CA2MAPK1ACACBACACACYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| US-6831033-B2 | Titanium complex prepared by reacting a halogenated magnesium compound with an alcohol; reacting the product with an ester containing a hydroxy group and an alkoxy silicon compound; and reacting product with titanium compound and a haloalkane | SAMSUNG GENERAL CHEMICALS CO., LTD. (KR) | 2004-12-14 | — | — | US | disclosed |