Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 6/20 | 0.59 |
| ▸ | CA1 | P00915 | 6/20 | 0.59 |
| ▸ | CA2 | P00918 | 6/20 | 0.59 |
| ▸ | CA7 | P43166 | 6/20 | 0.59 |
| ▸ | CA9 | Q16790 | 6/20 | 0.59 |
| ▸ | CA14 | Q9ULX7 | 6/20 | 0.59 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.57 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | DBH | P09172 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | RECQL | P46063 | 1/20 | 0.52 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.45 |
| ▸ | CHRNA7 | P36544 | 4/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.43 |
| ▸ | NAAA | Q02083 | 1/20 | 0.42 |
| ▸ | MGLL | Q99685 | 1/20 | 0.42 |
| ▸ | GUSB | P08236 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL11042464 | 0.86 | CA12 (0.58) | CA12CA1CA2CA7CA9 | |
| SCHEMBL1830213 | 0.83 | CA12 (0.59) | CA12CA1CA2CA7CA9 | |
| SCHEMBL29378476 | 0.83 | CA12 (0.59) | CA12CA1CA2CA7CA9 | |
| SCHEMBL11042460 | 0.82 | CA12 (0.54) | CA12CA1CA2CA7CA9 | |
| SCHEMBL11065472 | 0.82 | CSNK2A1 (0.62) | CA12CA1CA2CA7CA9 | |
| SCHEMBL4121932 | 0.81 | NPC1 (0.53) | KDM4EDBHGAARECQLALDH1A1 | |
| SCHEMBL24413664 | 0.80 | HSP90AA1 (0.58) | CA12CA1CA2CA7CA9 | |
| SCHEMBL16727748 | 0.80 | ALOX5 (0.62) | CA12CA1CA2CA7CA9 | |
| SCHEMBL3084781 | 0.80 | HPGD (0.62) | KDM4EDBHGAARECQLCES2 | |
| SCHEMBL24450926 | 0.80 | KDM4E (0.48) | CA1CA2KDM4EDBHGAA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020132603-A2 | SALICYL-ADENOSINEMONOSULFAMATE ANALOGS AND USES THEREOF | MEMORIAL SLOAN-KETTERING CANCER CENTER (US) | 2020-06-25 | — | — | WO | disclosed |