Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 7/20 | 0.78 |
| ▸ | CA1 | P00915 | 4/20 | 0.78 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.54 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.54 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.54 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.54 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.54 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.44 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.44 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.44 |
| ▸ | Q9HBH1 | 1/20 | 0.43 | |
| ▸ | DPP7 | Q9UHL4 | 2/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.43 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.43 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL14618094 | 0.94 | CA2 (0.69) | CA2CA1L3MBTL1HDAC7HDAC8 | |
| SCHEMBL28987848 | 0.91 | CA1 (0.63) | CA2CA1L3MBTL1HDAC7HDAC8 | |
| SCHEMBL13808654 | 0.88 | CA2 (0.71) | CA2CA1L3MBTL1HDAC7HDAC8 | |
| SCHEMBL17439956 | 0.88 | CA2 (1.00) | CA2CA1L3MBTL1MAPK1SLC1A3 | |
| SCHEMBL14327729 | 0.85 | CA1 (0.58) | CA2CA1L3MBTL1HDAC7HDAC8 | |
| SCHEMBL18454690 | 0.85 | CA2 (0.68) | CA2CA1L3MBTL1HDAC7HDAC8 | |
| SCHEMBL15827547 | 0.83 | CA2 (0.77) | CA2CA1L3MBTL1HDAC7HDAC8 | |
| SCHEMBL18643837 | 0.81 | HDAC7 (0.56) | CA2CA1HDAC7HDAC8HDAC6 | |
| SCHEMBL18520585 | 0.81 | HDAC8 (0.83) | CA2CA1HDAC7HDAC8HDAC6 | |
| SCHEMBL3890514 | 0.80 | CA2 (0.85) | CA2CA1L3MBTL1MAPK1SLC1A2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109937038-A | Dicyclic nitrogen-containing heterocycle compound | 田边三菱制药株式会社 | 2019-06-25 | — | — | CN | disclosed |
| WO-1992016523-A1 | 5-ARYLHETEROARYLALKYL-1,3,5-TRISUBSTITUTED-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS | G.D. SEARLE & CO. (US) | 1992-10-01 | — | — | WO | disclosed |
| CN-1039016-A | N '-replacement-N, N '-two replaces the hydrazine insect repellent | ROHM & HAAS (US) | 1990-01-24 | — | — | CN | disclosed |