Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 1/20 | 0.39 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | JAK2 | O60674 | 1/20 | 0.37 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.35 |
| ▸ | LMNA | P02545 | 3/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | FAAH | O00519 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.33 |
| ▸ | OPRD1 | P41143 | 3/20 | 0.33 |
| ▸ | TSHR | P16473 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.33 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.33 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.33 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28489593 | 0.84 | SIGMAR1 (0.42) | NPC1RAB9AJAK2PAX8ALDH1A1 | |
| SCHEMBL6057465 | 0.84 | TSHR (0.42) | EGFRERBB2NPC1RAB9AALDH1A1 | |
| SCHEMBL11449243 | 0.81 | NPC1 (0.46) | EGFRERBB2NPC1RAB9AJAK2 | |
| SCHEMBL11653571 | 0.81 | NPC1 (0.50) | EGFRERBB2NPC1RAB9AJAK2 | |
| SCHEMBL11442351 | 0.78 | TSHR (0.50) | EGFRERBB2NPC1RAB9AJAK2 | |
| SCHEMBL11418422 | 0.76 | HTR2A (0.46) | EGFRERBB2NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL2417791 | 0.75 | TSHR (0.52) | NPC1RAB9AALDH1A1SMN1; SMN2SIGMAR1 | |
| SCHEMBL28647122 | 0.72 | USP2 (0.43) | EGFRERBB2RAB9AALDH1A1SMN1; SMN2 | |
| SCHEMBL11432925 | 0.72 | TSHR (0.52) | EGFRERBB2NPC1RAB9AJAK2 | |
| SCHEMBL7389171 | 0.72 | SIGMAR1 (0.44) | EGFRERBB2NPC1RAB9AJAK2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4206144-A | N,N-Dialkyl-N-aminoalkyl-N-(amino or nitro)phenylalkyl- and N-methyl-N-[3-(amino or nitro)phenoxy-2-hydroxy-1-propyl]-N,N-bis(3-aminopropyl)quaternary ammonium salts | STERLING DRUG INC. (US) | 1980-06-03 | — | — | US | disclosed |
| US-4146558-A | Azo dyestuff intermediate nitro- or aminobenzenes ring-substituted by a quaternized amine alkyl or amino-alkoxy group | STERLING DRUG INC. (US) | 1979-03-27 | — | — | US | disclosed |
| US-4103092-A | Water-soluble quaternary ammonium non-heterocyclic azo dyestuffs | STERLING DRUG INC. (US) | 1978-07-25 | — | — | US | disclosed |
| US-4065500-A | Water-soluble quaternary ammonium azo dyestuffs | STERLING DRUG INC. (US) | 1977-12-27 | — | — | US | disclosed |
| US-3996282-A | Water-soluble quaternary ammonium dyestuffs | STERLING DRUG INC. (US) | 1976-12-07 | — | — | US | disclosed |
| US-3935182-A | Water-soluble quaternary ammonium heterocyclic azo dyestuffs | STERLING DRUG INC. (US) | 1976-01-27 | — | — | US | disclosed |