Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | NR1I3 | Q14994 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | NAMPT | P43490 | 2/20 | 0.38 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | JAK2 | O60674 | 1/20 | 0.36 |
| ▸ | NQO2 | P16083 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | HSP90AB1 | P08238 | 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 | |
|---|---|---|---|---|
| SCHEMBL30323627 | 1.00 | CA12 (0.50) | CA12CA1CA9NR1I3NPC1 | |
| SCHEMBL23320570 | 0.83 | NAMPT (0.41) | NPC1RAB9AKDM4EALDH1A1HPGD | |
| SCHEMBL10013756 | 0.78 | ALDH1A1 (0.43) | CA12CA1CA9NR1I3NPC1 | |
| SCHEMBL16513027 | 0.76 | CA12 (0.42) | CA12CA1CA9NR1I3NPC1 | |
| SCHEMBL8656856 | 0.75 | CA12 (0.52) | CA12CA1CA9RAB9AKDM4E | |
| SCHEMBL24950219 | 0.75 | CA12 (0.52) | CA12CA1CA9NPC1RAB9A | |
| SCHEMBL30943290 | 0.74 | NAMPT (0.69) | RAB9AALDH1A1NAMPT | |
| SCHEMBL23320429 | 0.74 | NAMPT (0.69) | RAB9AALDH1A1NAMPT | |
| SCHEMBL30943194 | 0.73 | USP2 (0.53) | NPC1RAB9AALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL23320347 | 0.72 | NAMPT (0.57) | KDM4ESMN1; SMN2NAMPT |
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-112654608-B | Fused ring compound having urea structure | 桑福德伯纳姆普利斯医学发现研究所 | 2024-05-07 | — | — | CN | disclosed |
| CN-112654608-A | Condensed ring compounds having urea structure | 桑福德伯纳姆普利斯医学发现研究所 | 2021-04-13 | — | — | CN | disclosed |