Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 3/20 | 0.36 |
| ▸ | TGFBR1 | P36897 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | PKLR | P30613 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 4/20 | 0.31 |
| ▸ | RAB9A | P51151 | 4/20 | 0.31 |
| ▸ | PFKFB3 | Q16875 | 1/20 | 0.30 |
| ▸ | CDK1 | P06493 | 1/20 | 0.30 |
| ▸ | CDK2 | P24941 | 1/20 | 0.30 |
| ▸ | ABL1 | P00519 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8306186 | 0.79 | ALDH1A1 (0.35) | P2RX7ALDH1A1HSD17B10NPC1RAB9A | |
| SCHEMBL659694 | 0.76 | ALDH1A1 (0.33) | TGFBR1ALDH1A1HSD17B10NPC1RAB9A | |
| SCHEMBL4075607 | 0.76 | ALDH1A1 (0.33) | P2RX7ALDH1A1HSD17B10NPC1RAB9A | |
| SCHEMBL3185104 | 0.76 | DYRK1A (0.35) | P2RX7ALDH1A1HSD17B10NPC1RAB9A | |
| SCHEMBL12121766 | 0.76 | ABL1 (0.34) | P2RX7TGFBR1ALDH1A1HSD17B10NPC1 | |
| SCHEMBL18876099 | 0.76 | P2RX7 (0.34) | P2RX7ALDH1A1HSD17B10NPC1RAB9A | |
| SCHEMBL6068320 | 0.76 | CCNE1 (0.37) | P2RX7TGFBR1ALDH1A1HSD17B10PKLR | |
| SCHEMBL2722669 | 0.75 | ALDH1A1 (0.46) | ALDH1A1HSD17B10NPC1RAB9ACDK1 | |
| SCHEMBL18876131 | 0.74 | TGFBR1 (0.36) | TGFBR1 | |
| SCHEMBL29324220 | 0.73 | ADORA2A (0.33) | P2RX7TGFBR1ALDH1A1HSD17B10 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115232144-B | Nitrogen-containing condensed ring derivative, pharmaceutical composition, and preparation method and application thereof | 长春金赛药业有限责任公司 | 2024-04-02 | — | — | CN | disclosed |
| CN-115232144-A | Nitrogen-containing fused ring derivative, pharmaceutical composition, preparation method and application thereof | 长春金赛药业有限责任公司 | 2022-10-25 | — | — | CN | disclosed |