Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRSS1 | P07477 | 1/20 | 0.56 |
| ▸ | CTSG | P08311 | 1/20 | 0.56 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.56 |
| ▸ | CMA1 | P23946 | 1/20 | 0.56 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | CNR2 | P34972 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 3/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | NAMPT | P43490 | 1/20 | 0.48 |
| ▸ | NAAA | Q02083 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | ESRRG | P62508 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| Thiosulfuric Acid SCHEMBL11094603 | 0.90 | PRSS1 (0.56) | PRSS1CTSGCTRB1CMA1GAA | |
| SCHEMBL10224288 | 0.90 | PRSS1 (0.67) | PRSS1CTSGCTRB1CMA1GAA | |
| SCHEMBL17865785 | 0.80 | ADORA2A (0.59) | PRSS1CTSGCTRB1CMA1CNR2 | |
| SCHEMBL25779518 | 0.80 | RAB9A (0.58) | PRSS1CTSGCTRB1CMA1RAB9A | |
| SCHEMBL19728223 | 0.80 | RAB9A (0.58) | PRSS1CTSGCTRB1CMA1RAB9A | |
| SCHEMBL25752880 | 0.79 | PRSS1 (0.67) | PRSS1CTSGCTRB1CMA1GAA | |
| SCHEMBL11436476 | 0.78 | CA9 (0.47) | PRSS1CTSGCTRB1CMA1CNR2 | |
| Thiosulfuric Acid SCHEMBL11090486 | 0.78 | EPHX1 (0.60) | GAAPOLBMAPTALDH1A1LMNA | |
| SCHEMBL21590340 | 0.78 | PRSS1 (0.65) | PRSS1CTSGCTRB1CMA1GAA | |
| SCHEMBL17307331 | 0.77 | HDAC6 (0.53) | PRSS1CTSGCTRB1CMA1GAA |
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 |
|---|---|---|---|---|---|---|---|
| EP-0018100-B1 | SUBSTITUTED AROMATIC BIOLOGICALLY ACTIVE COMPOUND, A PROCESS FOR ITS PREPARATION AND ITS USE AS BIOCIDE | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1984-01-18 | — | — | EP | disclosed |