Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 7/20 | 0.48 |
| ▸ | CA9 | Q16790 | 7/20 | 0.48 |
| ▸ | CA12 | O43570 | 6/20 | 0.48 |
| ▸ | CA1 | P00915 | 6/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.43 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.43 |
| ▸ | ABCC2 | Q92887 | 1/20 | 0.43 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.43 |
| ▸ | UGT1A7 | Q9HAW7 | 1/20 | 0.43 |
| ▸ | SLC22A11 | Q9NSA0 | 1/20 | 0.43 |
| ▸ | LCK | P06239 | 1/20 | 0.42 |
| ▸ | FYN | P06241 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.41 |
| ▸ | CA3 | P07451 | 1/20 | 0.41 |
| ▸ | CA6 | P23280 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | CA5A | P35218 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7608105 | 0.83 | CYP1A2 (0.46) | CA2CA9CA12CA1RAB9A | |
| SCHEMBL5130313 | 0.81 | MLYCD (0.44) | CA2CA9CA12RAB9ASMN1; SMN2 | |
| SCHEMBL7110187 | 0.81 | MLYCD (0.44) | CA2CA9CA12RAB9ASMN1; SMN2 | |
| SCHEMBL13306191 | 0.81 | NTRK2 (0.41) | CA2CA9CA12CA1RAB9A | |
| SCHEMBL14376244 | 0.80 | CA12 (0.50) | CA2CA9CA12CA1RAB9A | |
| SCHEMBL3886133 | 0.80 | MLYCD (0.45) | CA2CA9CA12RAB9ASMN1; SMN2 | |
| SCHEMBL2953707 | 0.80 | TPMT (0.53) | SMN1; SMN2MLYCDHPGDTDP1TP53 | |
| SCHEMBL3352183 | 0.80 | MLYCD (0.45) | CA2CA9CA12RAB9ASMN1; SMN2 | |
| SCHEMBL5118318 | 0.79 | CYP2C19 (0.53) | CA2CA9CA12RAB9ASMN1; SMN2 | |
| SCHEMBL5157757 | 0.79 | LCK (0.64) | CA2CA9CA12CA1SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1732161-A | 1,3-diamino-2-hydroxypropane pro-drug derivatives | ELAN PHARM INC (US) | 2006-02-08 | — | — | CN | claimed |
| CN-1732161-A | 1,3-diamino-2-hydroxypropane pro-drug derivatives | ELAN PHARM INC (US) | 2006-02-08 | — | — | CN | disclosed |