Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.41 |
| ▸ | CA1 | P00915 | 3/20 | 0.41 |
| ▸ | CA2 | P00918 | 3/20 | 0.41 |
| ▸ | CA9 | Q16790 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | NOS3 | P29474 | 1/20 | 0.38 |
| ▸ | NOS1 | P29475 | 1/20 | 0.38 |
| ▸ | NOS2 | P35228 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 3/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28440088 | 1.00 | CA12 (0.41) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL6053634 | 0.96 | CA12 (0.43) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL31257889 | 0.94 | CA12 (0.42) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL26124667 | 0.94 | CA12 (0.42) | CA12CA1CA2CA9ALDH1A1 | |
| Ammonia Solution, Strong SCHEMBL27696161 | 0.94 | CA12 (0.42) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL79082 | 0.94 | CA12 (0.42) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL1618010 | 0.94 | CA12 (0.42) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL28638220 | 0.94 | CA12 (0.42) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL148184 | 0.94 | CA12 (0.42) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL27764985 | 0.92 | CA12 (0.38) | CA12CA1CA2CA9ALDH1A1 |
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-1261773-C | Composition for optical material | MITSUBISHI GAS CHEMICAL CO (JP) | 2006-06-28 | — | — | CN | disclosed |
| CN-1459031-A | Composition for optical material | MITSUBISHI GAS CHEMICAL CO (JP) | 2003-11-26 | — | — | CN | disclosed |