Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 6/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.40 |
| ▸ | POLB | P06746 | 4/20 | 0.40 |
| ▸ | THRB | P10828 | 3/20 | 0.40 |
| ▸ | RECQL | P46063 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 6/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | DAPK1 | P53355 | 2/20 | 0.38 |
| ▸ | MAOA | P21397 | 2/20 | 0.38 |
| ▸ | TTR | P02766 | 2/20 | 0.38 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL19486325 | 0.91 | ADORA2A (0.45) | ADORA2AMAPTTDP1POLBTHRB | |
| SCHEMBL17399120 | 0.86 | ADORA2A (0.45) | ADORA2AMAPTTDP1POLBTHRB | |
| SCHEMBL10814413 | 0.85 | ADORA2A (0.48) | ADORA2AMAPTTDP1POLBTHRB | |
| SCHEMBL24541091 | 0.85 | ALDH1A1 (0.44) | ADORA2AMAPTTDP1POLBTHRB | |
| SCHEMBL11573178 | 0.84 | AURKA (0.48) | ADORA2AMAPTTDP1POLBTHRB | |
| SCHEMBL7774083 | 0.83 | TDP1 (0.48) | ADORA2AMAPTTDP1POLBTHRB | |
| SCHEMBL5038235 | 0.83 | — | — | |
| SCHEMBL8731564 | 0.82 | ADORA2A (0.50) | ADORA2AMAPTTDP1POLBTHRB | |
| SCHEMBL31037853 | 0.82 | ADORA2A (0.50) | ADORA2AMAPTTDP1POLBTHRB | |
| SCHEMBL7769559 | 0.82 | ADORA2A (0.50) | ADORA2AMAPTTDP1POLBTHRB |
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 |
|---|---|---|---|---|---|---|---|
| EP-2704683-B1 | CHROMOPHORES WITH PERFLUOROALKYL SUBSTITUENTS | BASF SE (DE) | 2017-10-18 | — | — | EP | disclosed |