Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 4/20 | 0.41 |
| ▸ | BCL2A1 | Q16548 | 4/20 | 0.41 |
| ▸ | PTGDR2 | Q9Y5Y4 | 5/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | METAP2 | P50579 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.37 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.37 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.37 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.37 |
| ▸ | HTR6 | P50406 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL30965221 | 0.91 | MCL1 (0.40) | MCL1BCL2A1PTGDR2METAP2HDAC1 | |
| SCHEMBL30965263 | 0.90 | MCL1 (0.39) | MCL1BCL2A1PTGDR2METAP2HDAC1 | |
| SCHEMBL30965245 | 0.84 | MCL1 (0.38) | MCL1BCL2A1PTGDR2MAPTCA12 | |
| SCHEMBL30965224 | 0.81 | CYP19A1 (0.45) | CA12CA9AKR1B1PTPN1PTPN2 | |
| SCHEMBL30965248 | 0.80 | WDR5 (0.45) | MAPTMETAP2CA12CA9ALDH1A1 | |
| SCHEMBL30965199 | 0.76 | NAAA (0.36) | MCL1BCL2A1PTGDR2KMT2A | |
| SCHEMBL30965247 | 0.75 | S1PR5 (0.38) | MCL1BCL2A1ALDH1A1KMT2A | |
| SCHEMBL30965174 | 0.75 | AKR1B1 (0.42) | CA12CA9AKR1B1PTPN1PTPN2 | |
| SCHEMBL30965268 | 0.73 | ALDH1A1 (0.44) | MAPTCA12CA9ALDH1A1NPSR1 | |
| SCHEMBL30965231 | 0.73 | CA12 (0.47) | MAPTCA12CA9AKR1B1PTPN1 |
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 |