Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 5/20 | 0.33 |
| ▸ | COMT | P21964 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL26045498 | 0.84 | ACHE (0.36) | ACHETDP1PTGS2COMTIDO1 | |
| SCHEMBL862135 | 0.82 | ACHE (0.50) | ACHETDP1IDO1CYP2D6CYP2C9 | |
| SCHEMBL12960035 | 0.82 | ACHE (0.50) | ACHETDP1IDO1CYP2D6CYP2C9 | |
| SCHEMBL15929643 | 0.79 | TDP1 (0.36) | ACHETDP1PTGS2PTGS1MEN1 | |
| SCHEMBL72612 | 0.79 | — | — | |
| SCHEMBL13377972 | 0.78 | NPC1 (0.48) | ACHETDP1MEN1NPC1RAB9A | |
| SCHEMBL26742420 | 0.77 | ESR2 (0.41) | TDP1MEN1NPC1RAB9AKMT2A | |
| SCHEMBL6722376 | 0.76 | ACHE (0.38) | ACHETDP1PTGS2COMTPTGS1 | |
| SCHEMBL2209060 | 0.76 | ACHE (0.57) | ACHETDP1IDO1CA9 | |
| SCHEMBL6514380 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230265345-A1 | LIQUID CRYSTAL COMPOSITION CONTAINING POLYMERIZABLE COMPOUND AND APPLICATION OF LIQUID CRYSTAL COMPOSITION | BEIJING BAYI SPACE LCD TECHNOLOGY CO., LTD. (CN) | 2023-08-24 | — | — | US | disclosed |