Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | TYR | P14679 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.33 |
| ▸ | PTGES | O14684 | 1/20 | 0.32 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.31 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9304517 | 0.83 | KCNH2 (0.35) | KCNH2TYRMEN1TP53CYP3A4 | |
| SCHEMBL9306904 | 0.78 | KCNH2 (0.35) | KCNH2TYRMEN1TP53CYP3A4 | |
| SCHEMBL629041 | 0.74 | NPC1 (0.41) | NPC1RAB9AKCNH2MEN1CYP3A4 | |
| SCHEMBL9305443 | 0.72 | ALDH1A1 (0.40) | RAB9AKCNH2TYRMEN1TP53 | |
| SCHEMBL9847100 | 0.70 | TYR (0.43) | KCNH2TYRMEN1TP53CYP3A4 | |
| SCHEMBL28208703 | 0.68 | TYR (0.47) | KCNH2TYRMEN1TP53CYP3A4 | |
| SCHEMBL11398553 | 0.67 | NPC1 (0.44) | NPC1RAB9AMEN1MAPTHTT | |
| SCHEMBL9305320 | 0.67 | TYR (0.38) | RAB9AKCNH2TYRMEN1TP53 | |
| SCHEMBL11615877 | 0.67 | TYR (0.46) | KCNH2TYRMEN1TP53CYP3A4 | |
| SCHEMBL11616752 | 0.67 | TYR (0.46) | KCNH2TYRMEN1TP53CYP3A4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5347008-A | Thio(cyclo) alkanepolycarboxylic acids containing heterocyclic substituents | CIBA-GEIGY CORPORATION (US) | 1994-09-13 | — | — | US | disclosed |
| US-5152929-A | Corrosion inhibitors for water systems | CIBA-GEIGY CORPORATION (US) | 1992-10-06 | — | — | US | disclosed |
| EP-0129506-A2 | Heterocyclically substituted thio(cyclo)alkane polycarboxylic acids | CIBA-GEIGY AG (CH) | 1984-12-27 | — | — | EP | disclosed |