Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 4/20 | 0.50 |
| ▸ | CA2 | P00918 | 4/20 | 0.50 |
| ▸ | CA12 | O43570 | 3/20 | 0.50 |
| ▸ | CA7 | P43166 | 3/20 | 0.50 |
| ▸ | CA9 | Q16790 | 3/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.50 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | ESR1 | P03372 | 1/20 | 0.48 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | CA3 | P07451 | 1/20 | 0.46 |
| ▸ | TYR | P14679 | 1/20 | 0.46 |
| ▸ | DRD1 | P21728 | 1/20 | 0.46 |
| ▸ | CA4 | P22748 | 1/20 | 0.46 |
| ▸ | CA6 | P23280 | 1/20 | 0.46 |
| ▸ | CA5A | P35218 | 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 | |
|---|---|---|---|---|
| Hydroxylated Completely Delakylated Diethylpropion SCHEMBL5319402 | 1.00 | CA1 (0.50) | CA1CA2CA12CA7CA9 | |
| Hydroxylated Completely Delakylated Diethylpropion SCHEMBL5172799 | 0.98 | CA1 (0.48) | CA1CA2CA12CA7CA9 | |
| SCHEMBL9658758 | 0.83 | CA1 (0.47) | CA1CA2CA12CA7CA9 | |
| SCHEMBL28228323 | 0.82 | ALDH1A1 (0.52) | LMNAPKMHPGDHTTSLC6A2 | |
| SCHEMBL2631353 | 0.82 | ALDH1A1 (0.52) | LMNAPKMHPGDHTTSLC6A2 | |
| SCHEMBL9364482 | 0.82 | LMNA (0.44) | LMNAMAPTPKMHPGDHTT | |
| SCHEMBL16694617 | 0.82 | ALDH1A1 (0.52) | LMNAPKMHPGDHTTSLC6A2 | |
| SCHEMBL4378592 | 0.81 | KDM4E (0.59) | CA1CA2CA12CA7CA9 | |
| Hydrochloric Acid SCHEMBL6462448 | 0.81 | CA1 (0.46) | CA1CA2CA12CA7CA9 | |
| SCHEMBL3852076 | 0.80 | CES2 (0.50) | CA1CA2MAPTHPGDSLC6A2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1075062-C | Acetic acid derivatives | HOFFMANN LA ROCHE (CH) | 2001-11-21 | — | — | CN | disclosed |