Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.67 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.67 |
| ▸ | TSHR | P16473 | 2/20 | 0.67 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.46 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | CTSB | P07858 | 2/20 | 0.46 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.42 |
| ▸ | NOS1 | P29475 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL26059158 | 0.83 | TDP1 (0.69) | ALDH1A1TDP1TSHRNCOA1NCOA3 | |
| SCHEMBL57166 | 0.82 | TDP1 (1.00) | ALDH1A1TDP1TSHRNCOA1NCOA3 | |
| SCHEMBL29475175 | 0.82 | TDP1 (1.00) | ALDH1A1TDP1TSHRNCOA1NCOA3 | |
| SCHEMBL30261877 | 0.80 | ALDH1A1 (1.00) | ALDH1A1TDP1TSHRHPGDSMN1; SMN2 | |
| SCHEMBL69613 | 0.80 | ALDH1A1 (1.00) | ALDH1A1TDP1TSHRHPGDSMN1; SMN2 | |
| SCHEMBL28093598 | 0.80 | TDP1 (0.95) | ALDH1A1TDP1TSHRNCOA1NCOA3 | |
| SCHEMBL5604297 | 0.79 | TSHR (0.69) | ALDH1A1TDP1TSHRGPR35HPGD | |
| SCHEMBL11693636 | 0.79 | ALDH1A1 (0.69) | ALDH1A1TDP1TSHRGPR35HPGD | |
| SCHEMBL18224179 | 0.79 | ALDH1A1 (0.69) | ALDH1A1TDP1TSHRGPR35HPGD | |
| SCHEMBL17141360 | 0.78 | ALDH1A1 (0.67) | ALDH1A1TDP1TSHRGPR35HPGD |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5872129-A | REACTING AROMATIC ALPHA-METHYL HALIDES WITH N-ALKYL OR N-ARYLDIETHANOLAMINES TO GIVE QUATERNARY DIOLS AND CONVERTING DIOLS TO HALOGEN OR SULFONATE DERIVATIVES BY TREATING WITH SULFONYL CHLORIDE; ANTITUMOR BLOOD FLOW AGENT | AUCKLAND UNISERVICES LIMITED (NZ) | 1999-02-16 | — | — | US | disclosed |
| US-5691371-A | ANTITUMOR AND -CARCINOGENIC AGENTS; PRODRUGS BIOREDUCED TO RELEASE A CYTOTOXIN, A MECHLORETHAMINE DERIVATIVE; WATER SOLUBLE | AUCKLAND UNISERVICES LIMITED (NZ) | 1997-11-25 | — | — | US | disclosed |
| EP-0700376-A4 | NITROBENZYL MUSTARD QUATERNARY SALTS AND THEIR USE AS HYPOXIA-SELECTIVE CYTOTOXIC AGENTS | AUCKLAND UNISERVICES LTD (NZ) | 1996-05-22 | — | — | EP | disclosed |
| EP-0700376-A1 | NITROBENZYL MUSTARD QUATERNARY SALTS AND THEIR USE AS HYPOXIA-SELECTIVE CYTOTOXIC AGENTS | AUCKLAND UNISERVICES LIMITED (NZ) | 1996-03-13 | — | — | EP | disclosed |
| WO-1994027954-A1 | NITROBENZYL MUSTARD QUATERNARY SALTS AND THEIR USE AS HYPOXIA-SELECTIVE CYTOTOXIC AGENTS | AUCKLAND UNISERVICES LIMITED (NZ) | 1994-12-08 | — | — | WO | disclosed |
| 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 |