Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | DDAH1 | O94760 | 1/20 | 0.39 |
| ▸ | TXN | P10599 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL11023488 | 0.91 | SMN1; SMN2 (0.45) | NPSR1SMN1; SMN2RAB9AHSD17B10NPC1 | |
| SCHEMBL11020176 | 0.89 | NPSR1 (0.40) | NPSR1DDAH1TXNSMN1; SMN2RAB9A | |
| SCHEMBL11020178 | 0.81 | SMN1; SMN2 (0.43) | NPSR1SMN1; SMN2RAB9AHSD17B10NPC1 | |
| SCHEMBL11019368 | 0.78 | NPC1 (0.39) | NPSR1SMN1; SMN2RAB9APOLBNPC1 | |
| SCHEMBL11018472 | 0.78 | NPC1 (0.39) | NPSR1SMN1; SMN2RAB9APOLBNPC1 | |
| SCHEMBL11017585 | 0.78 | NPSR1 (0.40) | NPSR1SMN1; SMN2RAB9APOLBHSD17B10 | |
| SCHEMBL11017240 | 0.78 | ALDH1A1 (0.38) | NPSR1SMN1; SMN2RAB9APOLBHSD17B10 | |
| Ammonia Solution, Strong SCHEMBL11018208 | 0.77 | NPSR1 (0.44) | NPSR1DDAH1SMN1; SMN2RAB9APOLB | |
| SCHEMBL11018499 | 0.75 | ALDH1A1 (0.43) | NPSR1DDAH1SMN1; SMN2RAB9ANPC1 | |
| Ammonia Solution, Strong SCHEMBL11018209 | 0.74 | KMT2A (0.45) | NPSR1SMN1; SMN2RAB9APOLBNPC1 |
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-0161219-A2 | Heterocyclic mercaptocarboxylic-acid esters and anhydrides as corrosion inhibiting agents | CIBA-GEIGY AG (CH) | 1985-11-13 | — | — | EP | disclosed |