Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSPB1 | P04792 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.39 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | S100A4 | P26447 | 2/20 | 0.35 |
| ▸ | PTPRC | P08575 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5699210 | 0.87 | TDP1 (0.41) | HSPB1TDP1GPR35NPC1RECQL | |
| SCHEMBL15283229 | 0.81 | TDP1 (0.44) | HSPB1TDP1GPR35NPC1RECQL | |
| SCHEMBL26162786 | 0.78 | TDP1 (0.39) | HSPB1TDP1GPR35NPC1RECQL | |
| SCHEMBL29020417 | 0.77 | TSHR (0.43) | HSPB1TDP1GPR35NPC1RAB9A | |
| SCHEMBL28837910 | 0.76 | CYP1A2 (0.43) | TDP1GPR35NPC1RAB9AALDH1A1 | |
| SCHEMBL28837911 | 0.76 | CYP1A2 (0.43) | TDP1GPR35NPC1RAB9AALDH1A1 | |
| SCHEMBL1707141 | 0.75 | TDP1 (0.52) | HSPB1TDP1GPR35NPC1RECQL | |
| SCHEMBL30079450 | 0.75 | TDP1 (0.52) | HSPB1TDP1GPR35NPC1RECQL | |
| SCHEMBL22325872 | 0.74 | MAPT (0.44) | HSPB1TDP1GPR35NPC1RECQL | |
| SCHEMBL1610862 | 0.74 | TDP1 (0.41) | HSPB1TDP1GPR35NPC1RECQL |
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-113527299-B | Nitrogen-containing condensed ring compound, preparation method and application | 上海凌达生物医药有限公司 | 2023-12-29 | — | — | CN | disclosed |