Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYSLTR2 | Q9NS75 | 1/20 | 0.48 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.44 |
| ▸ | HTR1A | P08908 | 1/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.44 |
| ▸ | DRD1 | P21728 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.44 |
| ▸ | DRD3 | P35462 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | KIF11 | P52732 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL11167064 | 0.92 | MAOA (0.50) | CYSLTR2CYSLTR1RAB9AKCNH2SLC6A2 | |
| SCHEMBL29060315 | 0.86 | CYSLTR2 (0.38) | CYSLTR2CYSLTR1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL7029063 | 0.85 | SLC6A2 (0.47) | CYSLTR2CYSLTR1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL27535907 | 0.85 | LPL (0.46) | NPC1RAB9ASMN1; SMN2OPRM1DRD3 | |
| SCHEMBL20082361 | 0.83 | KIF11 (0.50) | DRD1KIF11HTR2A | |
| SCHEMBL27657598 | 0.83 | LPL (0.53) | KCNH2OPRM1DRD3HTR2A | |
| SCHEMBL18025549 | 0.83 | CYP4F2 (0.46) | CYSLTR2CYSLTR1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL5826355 | 0.82 | RAB9A (0.57) | NPC1RAB9ASMN1; SMN2LMNAMAOB | |
| SCHEMBL2464423 | 0.81 | LPL (0.54) | KCNH2OPRM1DRD3HTR2A | |
| Hydrochloric Acid SCHEMBL14157319 | 0.81 | KIF11 (0.49) | DRD1KIF11HTR2A |
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-6004435-A | SEPARATION OF 2,6-DIETHYL ANILINE, METHYL SALICYLATE, DIPROPYLENE GLYCOL, 2-UNDECANONE, POLYETHYLENE GLYCOL, DIETHYLENE GLYCOL BUTYL ETHER, 2-PYRROLIDINONE, 3-NITROTOLUENE, ETHYL SALICYLATE AND TETRAMETHYSULFONE. | BERG LLOYD (US) | 1999-12-21 | — | — | US | disclosed |