Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.57 |
| ▸ | RAB9A | P51151 | 1/20 | 0.57 |
| ▸ | PTGS2 | P35354 | 5/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.47 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.47 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.47 |
| ▸ | CDC42 | P60953 | 1/20 | 0.47 |
| ▸ | RAC1 | P63000 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.44 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL13592731 | 0.78 | TDP1 (0.69) | PTGS2TDP1L3MBTL1TSHRLMNA | |
| SCHEMBL13579048 | 0.77 | TDP1 (0.68) | PTGS2TDP1L3MBTL1TSHRLMNA | |
| SCHEMBL29893907 | 0.77 | TDP1 (0.68) | PTGS2TDP1L3MBTL1TSHRLMNA | |
| SCHEMBL12742987 | 0.77 | TDP1 (0.68) | PTGS2TDP1L3MBTL1TSHRLMNA | |
| SCHEMBL12744212 | 0.75 | PTGS2 (0.65) | PTGS2TDP1L3MBTL1TSHRLMNA | |
| SCHEMBL16193388 | 0.75 | PTGS2 (0.65) | PTGS2TDP1L3MBTL1TSHRLMNA | |
| SCHEMBL11875701 | 0.75 | NPC1 (0.51) | NPC1RAB9APTGS2TSHRPTGS1 | |
| SCHEMBL1246306 | 0.75 | TDP1 (0.68) | PTGS2TDP1L3MBTL1TSHRLMNA | |
| SCHEMBL27746752 | 0.75 | TDP1 (0.68) | PTGS2TDP1L3MBTL1TSHRLMNA | |
| SCHEMBL8197796 | 0.75 | TDP1 (0.68) | PTGS2TDP1L3MBTL1TSHRLMNA |
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-117417355-A | Fused heterocyclic compound, preparation method and application thereof | 上海翊石医药科技有限公司 | 2024-01-19 | — | — | CN | disclosed |