Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC4 | P56524 | 3/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.40 |
| ▸ | CA1 | P00915 | 6/20 | 0.40 |
| ▸ | CA2 | P00918 | 6/20 | 0.40 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.39 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.39 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 4/20 | 0.38 |
| ▸ | PTPN22 | Q9Y2R2 | 2/20 | 0.38 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC7 | Q8WUI4 | 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 | |
|---|---|---|---|---|
| SCHEMBL16504795 | 0.94 | HDAC4 (0.42) | HDAC4HDAC1CA1CA2ITGB3 | |
| SCHEMBL17771363 | 0.90 | CA1 (0.36) | HDAC4HDAC1CA1CA2ITGB3 | |
| SCHEMBL16521922 | 0.89 | CA1 (0.47) | HDAC4HDAC1CA1CA2ITGB3 | |
| SCHEMBL16504598 | 0.84 | CA1 (0.45) | CA1CA2ITGB3ITGA2BATM | |
| SCHEMBL16504793 | 0.81 | CA12 (0.36) | CA1CA2ITGB3ITGA2BCA12 | |
| SCHEMBL23626318 | 0.80 | CTSK (0.49) | HDAC4HDAC1CA1CA2SIRT5 | |
| SCHEMBL16572287 | 0.78 | CTSS (0.48) | HDAC4HDAC1CA1CA2SIRT5 | |
| SCHEMBL16504607 | 0.78 | CTSS (0.48) | HDAC4HDAC1CA1CA2SIRT5 | |
| SCHEMBL16572281 | 0.78 | CTSS (0.48) | HDAC4HDAC1CA1CA2SIRT5 | |
| SCHEMBL16504677 | 0.78 | CTSS (0.48) | HDAC4HDAC1CA1CA2SIRT5 |
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 |
|---|---|---|---|---|---|---|---|
| US-9963427-B2 | Dithiol mucolytic agents | PARION SCIENCES, INC. (US) | 2018-05-08 | — | — | US | disclosed |