Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 7/20 | 0.60 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.57 |
| ▸ | NPY5R | Q15761 | 2/20 | 0.48 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.47 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.46 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | TDO2 | P48775 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | KCNA5 | P22460 | 2/20 | 0.43 |
| ▸ | MAP2K4 | P45985 | 1/20 | 0.43 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Biphenyl SCHEMBL27783277 | 0.90 | PTGS2 (0.59) | CYP2A6PTGS2NPY5RCYP11B1CYP11B2 | |
| Benzene SCHEMBL28446151 | 0.90 | PTGS2 (0.62) | CYP2A6PTGS2CYP11B1CYP11B2PTGS1 | |
| Benzene SCHEMBL15456827 | 0.90 | PTGS2 (0.62) | CYP2A6PTGS2CYP11B1CYP11B2PTGS1 | |
| Benzene SCHEMBL9109284 | 0.90 | PTGS2 (0.62) | CYP2A6PTGS2CYP11B1CYP11B2PTGS1 | |
| Ethane SCHEMBL28235431 | 0.88 | PTGS2 (0.65) | CYP2A6PTGS2CYP11B1CYP11B2PTGS1 | |
| SCHEMBL29856936 | 0.88 | PTGS2 (0.65) | CYP2A6PTGS2NPY5RCYP11B1CYP11B2 | |
| SCHEMBL31038075 | 0.88 | PTGS2 (0.56) | CYP2A6PTGS2NPY5RCYP11B1CYP11B2 | |
| SCHEMBL30032 | 0.88 | PTGS2 (0.64) | CYP2A6PTGS2CYP11B1CYP11B2CYP3A4 | |
| SCHEMBL31635952 | 0.88 | PTGS2 (0.64) | CYP2A6PTGS2CYP11B1CYP11B2CYP3A4 | |
| SCHEMBL28181896 | 0.88 | PTGS2 (0.64) | CYP2A6PTGS2CYP11B1CYP11B2CYP3A4 |
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-104910211-A | Cyclometalated iridium (III) complex and preparation method and application thereof in living cell mitochondria dyeing | UNIV SUN YAT SEN | 2015-09-16 | — | — | CN | claimed |
| CN-104910211-A | Cyclometalated iridium (III) complex and preparation method and application thereof in living cell mitochondria dyeing | UNIV SUN YAT SEN | 2015-09-16 | — | — | CN | disclosed |