Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | ABCB1 | P08183 | 14/20 | 0.40 |
| ▸ | AGXT | P21549 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | GFER | P55789 | 1/20 | 0.39 |
| ▸ | QPCT | Q16769 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29194562 | 0.94 | ABCB1 (0.42) | ABCB1QPCTHTR1A | |
| SCHEMBL29194739 | 0.94 | QPCT (0.39) | NPC1MAPTABCB1AGXTKDM4E | |
| SCHEMBL30245577 | 0.94 | AGXT (0.44) | NPC1MAPTABCB1AGXTKDM4E | |
| SCHEMBL30245666 | 0.89 | ALDH1A1 (0.42) | NPC1MAPTABCB1KDM4EGFER | |
| SCHEMBL29194448 | 0.89 | ALDH1A1 (0.42) | NPC1MAPTABCB1KDM4EGFER | |
| SCHEMBL25296124 | 0.89 | NPC1 (0.38) | NPC1MAPTABCB1AGXTKDM4E | |
| SCHEMBL30245164 | 0.89 | NPC1 (0.38) | NPC1MAPTABCB1AGXTKDM4E | |
| SCHEMBL29194527 | 0.88 | ABCB1 (0.39) | ABCB1QPCT | |
| SCHEMBL30245554 | 0.88 | VNN1 (0.43) | ABCB1KDM4EQPCT | |
| SCHEMBL25254076 | 0.88 | QPCT (0.41) | NPC1MAPTAGXTKDM4EGFER |
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-117916237-A | Amino aryl integrin agonist compounds | 德克萨斯心脏研究所 | 2024-04-19 | — | — | CN | claimed |
| CN-117916237-A | Amino aryl integrin agonist compounds | 德克萨斯心脏研究所 | 2024-04-19 | — | — | CN | disclosed |