Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | SLC22A12 | Q96S37 | 7/20 | 0.40 |
| ▸ | SLC2A9 | Q9NRM0 | 1/20 | 0.40 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 2/20 | 0.35 |
| ▸ | APEX1 | P27695 | 2/20 | 0.34 |
| ▸ | C1R | P00736 | 1/20 | 0.34 |
| ▸ | PPARG | P37231 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6474057 | 1.00 | AKR1C3 (0.43) | AKR1C3CYP2C9CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL5489366 | 0.81 | CTBP2 (0.47) | AKR1C3CYP2C9SLC22A12SLC2A9BACE1 | |
| SCHEMBL5421666 | 0.81 | AKR1B1 (0.50) | AKR1C3CYP2C9SLC22A12SLC2A9BACE1 | |
| SCHEMBL11395760 | 0.81 | CTBP2 (0.47) | AKR1C3CYP2C9SLC22A12SLC2A9BACE1 | |
| SCHEMBL17595074 | 0.81 | AKR1B1 (0.50) | AKR1C3CYP2C9SLC22A12SLC2A9BACE1 | |
| SCHEMBL28041722 | 0.80 | XPO1 (0.42) | AKR1C3CYP2C9CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL11393609 | 0.79 | AKR1C3 (0.43) | AKR1C3CYP2C9SLC22A12SLC2A9BACE1 | |
| SCHEMBL1967891 | 0.79 | ALDH1A1 (0.46) | AKR1C3SLC22A12SLC2A9APEX1 | |
| SCHEMBL3628109 | 0.79 | CTBP2 (0.46) | AKR1C3SLC22A12SLC2A9APEX1 | |
| SCHEMBL1683260 | 0.79 | AKR1C3 (0.43) | AKR1C3CYP2C9SLC22A12SLC2A9BACE1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005109041-A1 | COMPOSITIONS FOR USE IN THE MANUFACTURE OF LENSES | MEDICAL POLYMERS LIMITED (GB) | 2005-11-17 | — | — | WO | claimed |
| WO-2005109041-A1 | COMPOSITIONS FOR USE IN THE MANUFACTURE OF LENSES | MEDICAL POLYMERS LIMITED (GB) | 2005-11-17 | — | — | WO | disclosed |