Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 3/20 | 0.47 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | LPAR1 | Q92633 | 1/20 | 0.37 |
| ▸ | LPAR3 | Q9UBY5 | 1/20 | 0.37 |
| ▸ | TRPV1 | Q8NER1 | 4/20 | 0.37 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.37 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.37 |
| ▸ | ESRRA | P11474 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL30965153 | 0.89 | CYP19A1 (0.46) | CYP19A1S1PR3NPC1RAB9ATRPV1 | |
| SCHEMBL30965179 | 0.89 | CYP19A1 (0.45) | CYP19A1S1PR3NPC1RAB9AALDH1A1 | |
| SCHEMBL30965248 | 0.87 | WDR5 (0.45) | S1PR3ALDH1A1KMT2A | |
| SCHEMBL30965224 | 0.85 | CYP19A1 (0.45) | CYP19A1RAB9ATDP1PTPN1ALDH1A1 | |
| SCHEMBL30965202 | 0.84 | TDP1 (0.40) | TDP1LPAR1LPAR3PLA2G2APTPN1 | |
| SCHEMBL30965210 | 0.83 | CYP19A1 (0.41) | CYP19A1 | |
| SCHEMBL30965227 | 0.81 | ALDH1A1 (0.40) | TDP1LPAR1LPAR3ALDH1A1KMT2A | |
| SCHEMBL30965219 | 0.79 | TDP1 (0.43) | S1PR3TDP1LPAR1LPAR3PLA2G2A | |
| SCHEMBL30965253 | 0.77 | WDR5 (0.43) | ALDH1A1HPGD | |
| SCHEMBL30965261 | 0.76 | THRA (0.46) | RAB9ATDP1LPAR1LPAR3PLA2G2A |
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 |