Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHKA | P35790 | 3/20 | 0.41 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.41 |
| ▸ | CALM1 | P0DP23 | 2/20 | 0.41 |
| ▸ | CRHR1 | P34998 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.36 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.36 |
| ▸ | ESRRG | P62508 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11225008 | 0.83 | ALDH1A1 (0.41) | AOC3CRHR1ALDH1A1CYP3A4TSHR | |
| SCHEMBL9915622 | 0.83 | KDM4E (0.50) | ALDH1A1KDM4EMEN1THRBKMT2A | |
| SCHEMBL7899101 | 0.83 | KDM4E (0.50) | ALDH1A1KDM4EMEN1THRBKMT2A | |
| SCHEMBL26908694 | 0.79 | ALDH1A1 (0.52) | CHKACALM1ALDH1A1CYP3A4TSHR | |
| SCHEMBL5556476 | 0.78 | ALDH1A1 (0.41) | CRHR1ALDH1A1CYP3A4TSHRMAPK1 | |
| SCHEMBL23084180 | 0.77 | CYP3A4 (0.40) | AOC3CRHR1CYP3A4TSHRTDP1 | |
| SCHEMBL10979411 | 0.77 | ALDH1A1 (0.62) | CRHR1ALDH1A1CYP3A4TSHRMAPK1 | |
| SCHEMBL150182 | 0.76 | TSHR (0.50) | ALDH1A1TSHRCNR2KDM4EMEN1 | |
| SCHEMBL6555127 | 0.76 | ALDH1A1 (0.38) | CRHR1ALDH1A1CYP3A4TSHRMAPK1 | |
| SCHEMBL9915875 | 0.76 | AOC3 (0.51) | CHKAAOC3CALM1ALDH1A1CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| US-8197722-B2 | Irradiating the compound (containing two electron donor groups and a bridge of pi-conjugated bonds containing electron donor groups) with light, and the compound is converted to a multi-photon electronically excited state | THE CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2012-06-12 | — | — | US | disclosed |