Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | PTPRC | P08575 | 1/20 | 0.43 |
| ▸ | CES2 | O00748 | 1/20 | 0.43 |
| ▸ | CES1 | P23141 | 1/20 | 0.43 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 4/20 | 0.42 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.42 |
| ▸ | NOS3 | P29474 | 1/20 | 0.42 |
| ▸ | NOS1 | P29475 | 1/20 | 0.42 |
| ▸ | NOS2 | P35228 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | ALPI | P09923 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7080741 | 0.80 | IDO1 (0.46) | CYP2C19KEAP1CYP1A2PTPRCCES2 | |
| SCHEMBL4706985 | 0.79 | CYP2C19 (0.48) | CYP2C19PTPRCCES2CES1AKR1B1 | |
| SCHEMBL11357229 | 0.78 | NPC1 (0.43) | CYP2C19PTPRCCES2CES1AKR1B1 | |
| SCHEMBL11255144 | 0.77 | ALDH1A1 (0.40) | CYP2C19KEAP1CYP1A2PTPRCNPC1 | |
| SCHEMBL6683851 | 0.76 | IDO1 (0.46) | CYP2C19PTPRCCES2CES1NPC1 | |
| SCHEMBL31319068 | 0.76 | LMNA (0.49) | CYP2C19NPC1RAB9ACA12CA9 | |
| SCHEMBL3065468 | 0.76 | IDO1 (0.42) | CYP2C19KEAP1PTPRCIDO1NOS3 | |
| SCHEMBL11527809 | 0.76 | KMT2A (0.50) | CYP2C19NPC1RAB9ALMNAPKM | |
| SCHEMBL6683855 | 0.75 | IDO1 (0.48) | CYP2C19PTPRCCES2CES1AKR1B1 | |
| SCHEMBL3056063 | 0.74 | CYP2C19 (0.40) | CYP2C19KEAP1CYP1A2PTPRCNPC1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5717038-A | CROSSLINKING RUBBER WITH 1,2-BIS(N,N-DIBENZYLTHIOCARBAMOYLDISULFIDO)ETHANE | BAYER AKTIENGESELLSCHAFT (DE) | 1998-02-10 | — | — | US | disclosed |