Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 3/20 | 0.40 |
| ▸ | BCL2A1 | Q16548 | 3/20 | 0.40 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.39 |
| ▸ | PTPN2 | P17706 | 2/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | PTGDR2 | Q9Y5Y4 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | ACLY | P53396 | 1/20 | 0.37 |
| ▸ | METAP2 | P50579 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL30965263 | 0.96 | MCL1 (0.39) | MCL1BCL2A1TDP1L3MBTL1HDAC1 | |
| SCHEMBL30965207 | 0.91 | MCL1 (0.41) | MCL1BCL2A1AKR1B1PTPN2PTPN1 | |
| SCHEMBL30965199 | 0.85 | NAAA (0.36) | MCL1BCL2A1PTGDR2ACLY | |
| SCHEMBL30965151 | 0.81 | CYP19A1 (0.44) | AKR1B1PTPN2PTPN1TDP1L3MBTL1 | |
| SCHEMBL30965247 | 0.81 | S1PR5 (0.38) | MCL1BCL2A1ACLYALDH1A1 | |
| SCHEMBL30965253 | 0.81 | WDR5 (0.43) | ACLYMETAP2ALDH1A1 | |
| SCHEMBL30965250 | 0.77 | RAB9A (0.45) | PTPN1TDP1L3MBTL1RAB9AALDH1A1 | |
| SCHEMBL30965264 | 0.76 | ACLY (0.44) | ACLYMETAP2ALDH1A1 | |
| SCHEMBL30965215 | 0.76 | HPGD (0.48) | AKR1B1PTPN2PTPN1TDP1L3MBTL1 | |
| SCHEMBL30965246 | 0.74 | AKR1B1 (0.47) | AKR1B1PTPN2PTPN1TDP1L3MBTL1 |
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-118125964-A | Isoindoline-1, 3-diketone mPGES-1 inhibitor and application thereof | 长江大学 | 2024-06-04 | — | — | CN | disclosed |