Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | GSTP1 | P09211 | 2/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.36 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
| ▸ | THPO | P40225 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL15454202 | 0.82 | CES2 (0.39) | NPC1GSTP1LMNAALDH1A1 | |
| SCHEMBL9345266 | 0.82 | NPC1 (0.47) | NPC1GSTP1CA12CA1CA2 | |
| SCHEMBL576653 | 0.82 | NPC1 (0.56) | NPC1CA12CA1CA2CA9 | |
| SCHEMBL9344775 | 0.82 | NPC1 (0.47) | NPC1GSTP1CA12CA1CA2 | |
| SCHEMBL9344603 | 0.81 | NPC1 (0.43) | NPC1GSTP1CA12CA1CA9 | |
| SCHEMBL28561189 | 0.81 | MTNR1B (0.49) | NPC1LMNA | |
| SCHEMBL17264967 | 0.80 | NPC1 (0.46) | NPC1CA12CA1CA2CA9 | |
| SCHEMBL28559769 | 0.79 | NPC1 (0.44) | NPC1CA12CA1CA2CA9 | |
| SCHEMBL9344732 | 0.79 | ELANE (0.47) | NPC1CA12CA1CA2CA9 | |
| SCHEMBL28550850 | 0.79 | NPC1 (0.44) | NPC1CA1CA2CYP1A2LMNA |
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-2910236-B1 | Dental materials based on low-odour thiols | IVOCLAR VIVADENT AG (LI) | 2020-02-12 | — | — | EP | disclosed |
| EP-2910236-A1 | Dental materials based on low-odour thiols | Ivoclar Vivadent AG (LI) | 2015-08-26 | — | — | EP | disclosed |