Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 2/20 | 0.49 |
| ▸ | AHR | P35869 | 1/20 | 0.43 |
| ▸ | REN | P00797 | 2/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.40 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.40 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.40 |
| ▸ | SCN4A | P35499 | 1/20 | 0.40 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | PDPK1 | O15530 | 2/20 | 0.38 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.38 |
| ▸ | CD74 | P04233 | 1/20 | 0.37 |
| ▸ | MIF | P14174 | 1/20 | 0.37 |
| ▸ | PIM1 | P11309 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | HPGDS | O60760 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL30376148 | 1.00 | IDO1 (0.49) | IDO1AHRRENADRA1AADRA1B | |
| SCHEMBL31492457 | 0.77 | AHR (0.60) | AHRRENKEAP1PDPK1 | |
| SCHEMBL31688976 | 0.73 | AXL (0.47) | AHRRENKEAP1PDPK1 | |
| SCHEMBL28981716 | 0.72 | PIK3CD (0.56) | IDO1AHRADRA1AADRA1BADRA1D | |
| SCHEMBL18000230 | 0.71 | PIK3CD (0.54) | AHRRENKEAP1NPC1RAB9A | |
| SCHEMBL15712028 | 0.70 | PRKCI (0.50) | AHRRENADRA1AKEAP1NPC1 | |
| SCHEMBL27487512 | 0.69 | AHR (0.47) | IDO1AHRRENKEAP1PDPK1 | |
| SCHEMBL30741488 | 0.69 | AHR (0.43) | AHRRENKEAP1PDPK1 | |
| SCHEMBL23350640 | 0.68 | IDO1 (0.62) | IDO1SCN4ANPC1RAB9APDPK1 | |
| SCHEMBL594405 | 0.68 | AHR (0.50) | AHRRENKEAP1NPC1PDPK1 |
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-115943147-A | N-linked macrocyclic 7- (pyrazol-5-yl) -indole derivatives as MCL-1 inhibitors | 詹森药业有限公司 | 2023-04-07 | — | — | CN | disclosed |
| CN-115943147-A | N-linked macrocyclic 7- (pyrazol-5-yl) -indole derivatives as MCL-1 inhibitors | 詹森药业有限公司 | 2023-04-07 | — | — | CN | disclosed |
| CN-115605486-A | Macrocyclic 7-pyrazol-5-yl-indole derivatives as MCL-1 inhibitors | 詹森药业有限公司（BE） | 2023-01-13 | — | — | CN | disclosed |
| CN-115605486-A | Macrocyclic 7-pyrazol-5-yl-indole derivatives as MCL-1 inhibitors | 詹森药业有限公司（BE） | 2023-01-13 | — | — | CN | disclosed |