Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.42 |
| ▸ | CA2 | P00918 | 3/20 | 0.42 |
| ▸ | ZDHHC7 | Q9NXF8 | 1/20 | 0.40 |
| ▸ | HDAC7 | Q8WUI4 | 3/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.40 |
| ▸ | HDAC9 | Q9UKV0 | 3/20 | 0.40 |
| ▸ | HDAC5 | Q9UQL6 | 3/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.40 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.40 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.38 |
| ▸ | CA12 | O43570 | 3/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28317232 | 0.98 | CA1 (0.41) | CA1CA2ZDHHC7HDAC7HDAC8 | |
| SCHEMBL13671237 | 0.86 | ZDHHC7 (0.53) | CA1CA2ZDHHC7CA14CA12 | |
| SCHEMBL19549518 | 0.84 | TAS1R3 (0.38) | CA1CA2CA12CA9MMP9 | |
| SCHEMBL13192452 | 0.83 | CA2 (0.42) | CA1CA2ZDHHC7HDAC7HDAC8 | |
| SCHEMBL28947569 | 0.83 | CA1 (0.41) | CA1CA2ZDHHC7HDAC7HDAC8 | |
| Hydrochloric Acid SCHEMBL28316002 | 0.81 | CA1 (0.39) | CA1CA2ZDHHC7HDAC7HDAC8 | |
| SCHEMBL17914452 | 0.79 | CA12 (0.37) | CA1CA2HDAC7HDAC8HDAC6 | |
| SCHEMBL27653579 | 0.78 | CA14 (0.40) | CA1CA2ZDHHC7CA14CA12 | |
| SCHEMBL13668100 | 0.77 | CA1 (0.38) | CA1CA2ZDHHC7CA14CA12 | |
| SCHEMBL7750276 | 0.77 | CA14 (0.39) | CA1CA2CA14CA12SMN1; SMN2 |
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-110088087-A | TETRAHYDROPYRIDINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS | 东亚ST株式会社 | 2019-08-02 | — | — | CN | disclosed |