Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA4 | P22748 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | LEF1 | Q9UJU2 | 1/20 | 0.40 |
| ▸ | CALCRL | Q16602 | 1/20 | 0.39 |
| ▸ | F11 | P03951 | 12/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.39 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.38 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28680685 | 1.00 | CA12 (0.42) | CA12CA1CA2CA4CA9 | |
| SCHEMBL28692999 | 0.93 | LEF1 (0.44) | CA12CA1CA2CA4CA9 | |
| SCHEMBL28692998 | 0.93 | LEF1 (0.44) | CA12CA1CA2CA4CA9 | |
| SCHEMBL28681851 | 0.92 | CA12 (0.44) | CA12CA1CA2CA4CA9 | |
| SCHEMBL28681853 | 0.92 | CA12 (0.44) | CA12CA1CA2CA4CA9 | |
| SCHEMBL28690832 | 0.86 | CA12 (0.44) | CA12CA1CA2CA4CA9 | |
| SCHEMBL28690831 | 0.86 | CA12 (0.44) | CA12CA1CA2CA4CA9 | |
| SCHEMBL28291195 | 0.86 | CA12 (0.45) | CA12CA1CA2CA4CA9 | |
| SCHEMBL28673222 | 0.85 | CA12 (0.43) | CA12CA1CA2CA4CA9 | |
| SCHEMBL28974587 | 0.81 | HDAC8 (0.54) | F11HDAC8 |
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-113943259-A | Amino acid derivative, preparation method and application thereof | 西安禾渼生物医药有限公司 | 2022-01-18 | — | — | CN | disclosed |