Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 10/20 | 0.59 |
| ▸ | CA1 | P00915 | 9/20 | 0.59 |
| ▸ | CA9 | Q16790 | 7/20 | 0.59 |
| ▸ | CA12 | O43570 | 5/20 | 0.53 |
| ▸ | CA7 | P43166 | 2/20 | 0.53 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 3/20 | 0.52 |
| ▸ | RAB9A | P51151 | 3/20 | 0.52 |
| ▸ | CA5A | P35218 | 2/20 | 0.49 |
| ▸ | CA4 | P22748 | 1/20 | 0.49 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.49 |
| ▸ | IDO1 | P14902 | 1/20 | 0.46 |
| ▸ | AGXT | P21549 | 1/20 | 0.45 |
| ▸ | AR | P10275 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Methane SCHEMBL7670761 | 0.98 | CA2 (0.57) | CA2CA1CA9CA12CA7 | |
| SCHEMBL7670765 | 0.86 | NPC1 (0.51) | CA2CA1CA9CA12CA7 | |
| SCHEMBL10837819 | 0.80 | KMT2A (0.64) | CA2CA1CA9NPC1RAB9A | |
| SCHEMBL13046957 | 0.77 | CA1 (0.43) | CA2CA1CA9CA12NPC1 | |
| SCHEMBL24526461 | 0.77 | KMT2A (0.59) | CA2CA1CA9CA12CA7 | |
| SCHEMBL16425921 | 0.77 | NSD2 (0.46) | CA2CA1CA9CA12CA7 | |
| SCHEMBL22529366 | 0.76 | NPC1 (0.46) | CA2CA1CA9CA12CA7 | |
| Methane SCHEMBL7667881 | 0.76 | CA1 (0.57) | CA2CA1CA9CA12CA7 | |
| SCHEMBL13771138 | 0.75 | CA1 (0.41) | CA2CA1CA9NPC1RAB9A | |
| SCHEMBL7946395 | 0.74 | KMT2A (0.61) | ARKMT2A |
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-109438298-B | N-hydroxysulfonamide derivatives as physiologically valuable nitroxyl donors | 约翰斯霍普金斯大学 | 2021-10-08 | — | — | CN | disclosed |