Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | ATG4B | Q9Y4P1 | 2/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.41 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.41 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.41 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.41 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | DRD1 | P21728 | 1/20 | 0.41 |
| ▸ | HTR7 | P34969 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL14301006 | 0.84 | KMT2A (0.43) | TSHRCYP3A4HIF1AMAPTRAB9A | |
| SCHEMBL28618905 | 0.81 | MAPT (0.56) | CYP3A4ATG4BMAPTNFKB1CYP1A2 | |
| SCHEMBL4808242 | 0.80 | ALDH1A1 (0.47) | TSHRCYP3A4HIF1AMAPTRAB9A | |
| SCHEMBL8369004 | 0.79 | MAPT (0.61) | ATG4BMAPTADRB2ADRB1ADRB3 | |
| SCHEMBL411945 | 0.79 | MAPT (0.61) | ATG4BMAPTADRB2ADRB1ADRB3 | |
| SCHEMBL8077402 | 0.78 | KMT2A (0.49) | TSHRCYP3A4HIF1AMAPTRAB9A | |
| SCHEMBL28161274 | 0.76 | S1PR1 (0.47) | ATG4BMAPTADRB2ADRB3 | |
| SCHEMBL11637158 | 0.75 | KMT2A (0.46) | TSHRCYP3A4HIF1AMAPTRAB9A | |
| SCHEMBL11310011 | 0.75 | KMT2A (0.41) | TSHRCYP3A4HIF1AMAPTRAB9A | |
| SCHEMBL11508113 | 0.74 | CYP3A4 (0.56) | TSHRCYP3A4MAPTRAB9AHTR7 |
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-2018046753-A1 | CELL-PENETRATING FLUORESCENT DYES WITH SECONDARY ALCOHOL FUNCTIONALITIES | Max-Planck-Gesellschaft zur Förderung der Wissenschaften e. V. (DE) | 2018-03-15 | — | — | WO | disclosed |
| EP-3293230-A1 | CELL-PENETRATING FLUORESCENT DYES WITH SECONDARY ALCOHOL FUNCTIONALITIES | Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) | 2018-03-14 | — | — | EP | disclosed |