Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 5/20 | 0.45 |
| ▸ | CA1 | P00915 | 5/20 | 0.45 |
| ▸ | CA2 | P00918 | 5/20 | 0.45 |
| ▸ | CA4 | P22748 | 5/20 | 0.45 |
| ▸ | CA7 | P43166 | 5/20 | 0.45 |
| ▸ | CA9 | Q16790 | 5/20 | 0.45 |
| ▸ | RET | P07949 | 1/20 | 0.43 |
| ▸ | GRK5 | P34947 | 1/20 | 0.43 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.43 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.31 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.31 |
| ▸ | CES1 | P23141 | 2/20 | 0.31 |
| ▸ | NSD2 | O96028 | 1/20 | 0.31 |
| ▸ | BCHE | P06276 | 1/20 | 0.31 |
| ▸ | DAO | P14920 | 1/20 | 0.31 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.30 |
| ▸ | BACE1 | P56817 | 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 | |
|---|---|---|---|---|
| SCHEMBL448460 | 0.71 | KMT2A (0.39) | CA12CA1CA2CA4CA7 | |
| Ammonia Solution, Strong SCHEMBL446104 | 0.69 | KMT2A (0.38) | CA12CA1CA2CA4CA7 | |
| SCHEMBL21910775 | 0.67 | CA9 (0.48) | CA12CA1CA2CA4CA7 | |
| SCHEMBL6275979 | 0.65 | STK10 (0.34) | MEN1KMT2A | |
| SCHEMBL28322086 | 0.64 | LMNA (0.37) | CA12CA1CA2CA4CA7 | |
| SCHEMBL7110316 | 0.64 | RET (0.41) | CA12CA1CA2CA4CA7 | |
| SCHEMBL9278777 | 0.62 | CA12 (1.00) | CA12CA1CA2CA4CA7 | |
| SCHEMBL8207728 | 0.62 | CYP1A2 (0.39) | MEN1KMT2ACES1NSD2BCHE | |
| SCHEMBL23191244 | 0.62 | RET (0.46) | CA12CA1CA2CA4CA7 | |
| SCHEMBL8347189 | 0.61 | CA12 (0.39) | CA12CA1CA2CA4CA7 |
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-6346622-B1 | ENANTIOMORPHS AND ISOMERS | ABBOTT LABORATORIES | 2002-02-12 | — | — | US | disclosed |
| CN-1333685-A | Utilisation of I compound for the prophylaxis and therapy of cerebral ischaemia | BASF AG (DE) | 2002-01-30 | — | — | CN | disclosed |
| CN-1277607-A | 2-substituted 1,2-benzisothiazole derivatives and their use as serotonin antagonists (5-HT1A, 5-HT1b and 5-HT1D) | BASF AG (DE) | 2000-12-20 | — | — | CN | disclosed |