Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | LPAR1 | Q92633 | 1/20 | 0.39 |
| ▸ | LPAR3 | Q9UBY5 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | PTPN11 | Q06124 | 2/20 | 0.36 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.36 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | THRA | P10827 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 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 | |
|---|---|---|---|---|
| SCHEMBL30965204 | 0.89 | HPGD (0.47) | ALDH1A1KMT2AHPGDSMN1; SMN2THRA | |
| SCHEMBL30965187 | 0.88 | SMN1; SMN2 (0.44) | ALDH1A1KMT2AMEN1HPGDSMN1; SMN2 | |
| SCHEMBL30965174 | 0.85 | AKR1B1 (0.42) | TDP1PTPN1KMT2ACA12CA9 | |
| SCHEMBL30965244 | 0.84 | CYP19A1 (0.47) | TDP1LPAR1LPAR3ALDH1A1PTPN1 | |
| SCHEMBL30965143 | 0.82 | NAAA (0.38) | ALDH1A1KMT2AMEN1HPGD | |
| SCHEMBL30965219 | 0.81 | TDP1 (0.43) | TDP1LPAR1LPAR3ALDH1A1PTPN1 | |
| SCHEMBL30965172 | 0.81 | ALDH1A1 (0.42) | TDP1LPAR1LPAR3ALDH1A1KMT2A | |
| SCHEMBL30965248 | 0.80 | WDR5 (0.45) | ALDH1A1KMT2ACA12CA9SMN1; SMN2 | |
| SCHEMBL30965261 | 0.77 | THRA (0.46) | TDP1LPAR1LPAR3ALDH1A1KMT2A | |
| SCHEMBL30965215 | 0.75 | HPGD (0.48) | TDP1ALDH1A1PTPN1HPGD |
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 |