Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR3C1 | P04150 | 1/20 | 0.57 |
| ▸ | PGR | P06401 | 1/20 | 0.57 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.57 |
| ▸ | AR | P10275 | 1/20 | 0.57 |
| ▸ | ACLY | P53396 | 1/20 | 0.50 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.45 |
| ▸ | AHR | P35869 | 1/20 | 0.43 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.42 |
| ▸ | BACE1 | P56817 | 1/20 | 0.40 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.39 |
| ▸ | BCHE | P06276 | 3/20 | 0.39 |
| ▸ | NAMPT | P43490 | 2/20 | 0.37 |
| ▸ | JAK2 | O60674 | 1/20 | 0.35 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.35 |
| ▸ | MELK | Q14680 | 1/20 | 0.35 |
| ▸ | STK24 | Q9Y6E0 | 1/20 | 0.35 |
| ▸ | GRM5 | P41594 | 1/20 | 0.35 |
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.34 |
| ▸ | CCR10 | P46092 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4485961 | 0.83 | NR3C1 (0.57) | NR3C1PGRNR3C2ARACLY | |
| SCHEMBL1018276 | 0.80 | AR (0.53) | NR3C1PGRNR3C2ARACLY | |
| SCHEMBL30136554 | 0.80 | AR (0.53) | NR3C1PGRNR3C2ARACLY | |
| Hydrochloric Acid SCHEMBL26614912 | 0.79 | AR (0.51) | NR3C1PGRNR3C2ARACLY | |
| SCHEMBL3789155 | 0.77 | NR3C1 (0.53) | NR3C1PGRNR3C2ARACLY | |
| SCHEMBL30136569 | 0.77 | NR3C1 (0.53) | NR3C1PGRNR3C2ARACLY | |
| SCHEMBL593678 | 0.77 | NR3C1 (0.62) | NR3C1PGRNR3C2ARACLY | |
| Hydrochloric Acid SCHEMBL27765603 | 0.75 | NR3C1 (0.51) | NR3C1PGRNR3C2ARACLY | |
| SCHEMBL28322905 | 0.75 | NR3C1 (0.51) | NR3C1PGRNR3C2ARACLY | |
| SCHEMBL27467675 | 0.74 | NR3C1 (0.48) | NR3C1PGRNR3C2ARACLY |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101044114-B | Nitrobenzindoles and their use in cancer therapy | AUCKLAND UNISERVICES LTD. (NZ) | 2012-02-15 | — | — | CN | claimed |
| CN-101044114-A | Nitrobenzindoles and their use in cancer therapy | AUCKLAND UNISERVICES LTD (NZ) | 2007-09-26 | — | — | CN | claimed |
| CN-101044114-B | Nitrobenzindoles and their use in cancer therapy | AUCKLAND UNISERVICES LTD. (NZ) | 2012-02-15 | — | — | CN | disclosed |
| CN-101044114-A | Nitrobenzindoles and their use in cancer therapy | AUCKLAND UNISERVICES LTD (NZ) | 2007-09-26 | — | — | CN | disclosed |