Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.71 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.61 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.54 |
| ▸ | CNR1 | P21554 | 6/20 | 0.50 |
| ▸ | FLT3 | P36888 | 1/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.48 |
| ▸ | DAO | P14920 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | BRD4 | O60885 | 1/20 | 0.47 |
| ▸ | DDO | Q99489 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL31561597 | 0.88 | CA2 (0.62) | CA2AKR1B1AOC3CNR1FLT3 | |
| SCHEMBL3237494 | 0.88 | CA2 (0.62) | CA2AKR1B1AOC3CNR1FLT3 | |
| SCHEMBL329510 | 0.85 | CA2 (0.69) | CA2AKR1B1AOC3CNR1FLT3 | |
| SCHEMBL29520525 | 0.84 | CA2 (0.57) | CA2AKR1B1CNR1CA12CA1 | |
| SCHEMBL7124083 | 0.84 | CA2 (0.57) | CA2AKR1B1AOC3CNR1FLT3 | |
| SCHEMBL5610313 | 0.83 | CA2 (0.67) | CA2AKR1B1AOC3CNR1FLT3 | |
| SCHEMBL517161 | 0.83 | CA2 (0.67) | CA2AKR1B1AOC3CNR1FLT3 | |
| SCHEMBL516901 | 0.83 | CA2 (0.67) | CA2AKR1B1AOC3CNR1FLT3 | |
| SCHEMBL32681985 | 0.83 | CA2 (1.00) | CA2AKR1B1AOC3CNR1FLT3 | |
| SCHEMBL32895 | 0.83 | CA2 (1.00) | CA2AKR1B1AOC3CNR1FLT3 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112920208-B | Boric acid-containing indole aryl sulfone derivative and preparation method and application thereof | 山东大学 | 2022-11-08 | — | — | CN | claimed |
| CN-112898193-B | Indole aryl sulfone derivative and preparation method and application thereof | 山东大学 | 2022-08-05 | — | — | CN | claimed |
| CN-112920208-A | Boric acid-containing indole aryl sulfone derivative and preparation method and application thereof | 山东大学 | 2021-06-08 | — | — | CN | claimed |
| CN-112898193-A | Indole aryl sulfone derivative and preparation method and application thereof | 山东大学 | 2021-06-04 | — | — | CN | claimed |