Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.43 |
| ▸ | RAB9A | P51151 | 5/20 | 0.43 |
| ▸ | SLC13A5 | Q86YT5 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | STAT1 | P42224 | 1/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.40 |
| ▸ | RELA | Q04206 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | CASR | P41180 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL9811029 | 0.91 | NPC1 (0.38) | NPC1SMN1; SMN2RAB9ASLC13A5ALDH1A1 | |
| Diethylamine SCHEMBL9811196 | 0.89 | NPC1 (0.44) | NPC1SMN1; SMN2RAB9ASLC13A5ALDH1A1 | |
| Methylamine SCHEMBL9811128 | 0.84 | SLC13A5 (0.44) | NPC1SMN1; SMN2RAB9ASLC13A5ALDH1A1 | |
| Diethylamine SCHEMBL9811193 | 0.80 | NPC1 (0.39) | NPC1SMN1; SMN2RAB9AALDH1A1L3MBTL1 | |
| SCHEMBL28565003 | 0.78 | CASR (0.47) | NPC1SMN1; SMN2RAB9AALDH1A1L3MBTL1 | |
| SCHEMBL9811006 | 0.77 | NPC1 (0.38) | NPC1SMN1; SMN2RAB9AALDH1A1L3MBTL1 | |
| SCHEMBL9811133 | 0.77 | NPC1 (0.38) | NPC1SMN1; SMN2RAB9AALDH1A1L3MBTL1 | |
| SCHEMBL9811091 | 0.76 | NPC1 (0.41) | NPC1SMN1; SMN2RAB9ASLC13A5ALDH1A1 | |
| SCHEMBL9811093 | 0.76 | ATP4A (0.43) | NPC1SMN1; SMN2RAB9ASLC13A5ALDH1A1 | |
| SCHEMBL11577552 | 0.76 | NPC1 (0.47) | NPC1SMN1; SMN2RAB9AALDH1A1L3MBTL1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0161219-B1 | HETEROCYCLIC MERCAPTOCARBOXYLIC-ACID ESTERS AND ANHYDRIDES AS CORROSION INHIBITING AGENTS | CIBA-GEIGY AG (CH) | 1991-06-12 | — | — | EP | disclosed |
| EP-0161219-A2 | Heterocyclic mercaptocarboxylic-acid esters and anhydrides as corrosion inhibiting agents | CIBA-GEIGY AG (CH) | 1985-11-13 | — | — | EP | disclosed |