Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.36 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.36 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | DGKA | P23743 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CES2 | O00748 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | FAAH | O00519 | 1/20 | 0.31 |
| ▸ | PSEN1 | P49768 | 2/20 | 0.30 |
| ▸ | PSEN2 | P49810 | 2/20 | 0.30 |
| ▸ | APH1B | Q8WW43 | 2/20 | 0.30 |
| ▸ | NCSTN | Q92542 | 2/20 | 0.30 |
| ▸ | APH1A | Q96BI3 | 2/20 | 0.30 |
| ▸ | PSENEN | Q9NZ42 | 2/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 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 | |
|---|---|---|---|---|
| SCHEMBL13488640 | 0.82 | — | — | |
| SCHEMBL17570445 | 0.78 | ESR1 (0.44) | ESR1ALDH1A1TSHRADRB2ADRB1 | |
| SCHEMBL7592346 | 0.78 | — | — | |
| SCHEMBL27483955 | 0.78 | — | — | |
| SCHEMBL7592351 | 0.78 | — | — | |
| SCHEMBL18474063 | 0.78 | — | — | |
| SCHEMBL13020485 | 0.76 | ESR1 (0.43) | ESR1ALDH1A1TSHRDGKACES2 | |
| SCHEMBL10767591 | 0.75 | ESR1 (0.41) | ESR1TSHRCES2FAAHCA1 | |
| SCHEMBL10863259 | 0.75 | — | — | |
| SCHEMBL12438113 | 0.75 | ESR1 (0.42) | ESR1ALDH1A1TSHRADRB2ADRB1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104557931-A | Preparation and photocatalytic hydrogen generation performance of N-pyridyl perylenetetracarboxylic diimide | UNIV JINAN | 2015-04-29 | — | — | CN | disclosed |