Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | CASP1 | P29466 | 2/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | KIF11 | P52732 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | CASP7 | P55210 | 1/20 | 0.31 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28423964 | 0.85 | CA2 (0.46) | CA2GABRA1GABRB2ALDH1A1TSHR | |
| SCHEMBL4599393 | 0.81 | CA2 (0.43) | CA2GABRA1GABRB2ALDH1A1TSHR | |
| SCHEMBL29405311 | 0.81 | CA2 (0.43) | CA2GABRA1GABRB2ALDH1A1TSHR | |
| SCHEMBL11134677 | 0.80 | ALDH1A1 (0.52) | CA2GABRA1GABRB2ALDH1A1TSHR | |
| Naphthalene SCHEMBL1637639 | 0.79 | CA2 (0.41) | CA2GABRA1GABRB2ALDH1A1TSHR | |
| SCHEMBL23178987 | 0.78 | CA2 (0.40) | CA2GABRA1GABRB2ALDH1A1TSHR | |
| SCHEMBL19196145 | 0.78 | CA2 (0.50) | CA2GABRA1GABRB2ALDH1A1TSHR | |
| SCHEMBL10987327 | 0.76 | ALDH1A1 (0.52) | CA2GABRA1GABRB2ALDH1A1TSHR | |
| Formaldehyde SCHEMBL28438122 | 0.76 | ALDH1A1 (0.42) | CA2GABRA1GABRB2ALDH1A1TSHR | |
| Tert-Butanol SCHEMBL28209873 | 0.76 | CA2 (0.43) | CA2GABRA1GABRB2ALDH1A1TSHR |
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-6265620-B1 | REACTING OLEFINIC COMPOUND WITH CARBON MONOXIDE AND HYDROGEN IN PRESENCE OF CATALYST CONTAINING METAL OF GROUP 8 TO 10 AND TRIVALENT ORANIC PHOSPHORUS COMPOUND TO PRODUCE ALDEHYDE | MITSUBISHI CHEMICAL CORPORATION (JP) | 2001-07-24 | — | — | US | disclosed |