Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.43 |
| ▸ | AKR1B1 | P15121 | 3/20 | 0.43 |
| ▸ | PTPN2 | P17706 | 2/20 | 0.43 |
| ▸ | S1PR1 | P21453 | 5/20 | 0.42 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.41 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.41 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.40 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL30965250 | 0.95 | RAB9A (0.45) | CYP19A1RAB9APTPN1S1PR1FFAR1 | |
| SCHEMBL30965224 | 0.90 | CYP19A1 (0.45) | CYP19A1RAB9APTPN1AKR1B1PTPN2 | |
| SCHEMBL30965215 | 0.86 | HPGD (0.48) | RAB9APTPN1AKR1B1PTPN2S1PR1 | |
| SCHEMBL30965153 | 0.86 | CYP19A1 (0.46) | CYP19A1RAB9AS1PR3S1PR5ALDH1A1 | |
| SCHEMBL30965180 | 0.82 | RAB9A (0.44) | RAB9AS1PR1FFAR1S1PR5TDP1 | |
| SCHEMBL30965221 | 0.81 | MCL1 (0.40) | RAB9APTPN1AKR1B1PTPN2TDP1 | |
| SCHEMBL30965179 | 0.81 | CYP19A1 (0.45) | CYP19A1RAB9AS1PR3S1PR5ALDH1A1 | |
| SCHEMBL30965246 | 0.81 | AKR1B1 (0.47) | RAB9APTPN1AKR1B1PTPN2S1PR1 | |
| SCHEMBL30965222 | 0.80 | CYP19A1 (0.39) | CYP19A1S1PR5ALDH1A1 | |
| SCHEMBL30965253 | 0.80 | WDR5 (0.43) | S1PR5ALDH1A1 |
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 |