Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | PDK2 | Q15119 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | CASP3 | P42574 | 1/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.38 |
| ▸ | RELA | Q04206 | 1/20 | 0.38 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.38 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.38 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 4/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | RECQL | P46063 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL21970457 | 0.90 | ALDH1A1 (0.44) | TSHRALDH1A1NPC1RAB9APLA2G1B | |
| SCHEMBL27389364 | 0.86 | TSHR (0.42) | TSHRPDK2ALDH1A1NPC1RAB9A | |
| SCHEMBL4368315 | 0.84 | PDK2 (0.46) | PDK2ALDH1A1RAB9ACASP3SENP8 | |
| SCHEMBL18462438 | 0.84 | TSHR (0.43) | TSHRPDK2ALDH1A1NPC1RAB9A | |
| SCHEMBL25725713 | 0.83 | ALDH1A1 (0.43) | TSHRALDH1A1NPC1RAB9APLA2G1B | |
| SCHEMBL17702085 | 0.82 | TSHR (0.40) | TSHRALDH1A1NPC1RAB9APLA2G1B | |
| SCHEMBL546961 | 0.82 | BCHE (0.35) | TSHRALDH1A1NPC1RAB9APLA2G1B | |
| SCHEMBL13278527 | 0.81 | ALDH1A1 (0.50) | PDK2ALDH1A1NPC1RAB9APLA2G1B | |
| SCHEMBL13153107 | 0.81 | TSHR (0.30) | TSHR | |
| SCHEMBL13153106 | 0.81 | TSHR (0.30) | TSHR |
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-3750875-A2 | NITROGEN-CONTAINING COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE AND PHOTOELECTRIC CONVERSION DEVICE | Shaanxi Lighte Optoelectronics Material Co., Ltd. (CN) | 2020-12-16 | — | — | EP | disclosed |