Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.52 |
| ▸ | CAMK2A | Q9UQM7 | 1/20 | 0.52 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.50 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.50 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.48 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.48 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.47 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.47 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.46 |
| ▸ | CTSB | P07858 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL7755976 | 0.82 | CTBP2 (0.38) | CA2CAMK2ASRD5A2HTTPOLB | |
| SCHEMBL7760941 | 0.81 | FFAR1 (0.61) | SRD5A2FFAR1LMNA | |
| SCHEMBL28368266 | 0.79 | FFAR1 (0.59) | SRD5A2FFAR1LMNA | |
| SCHEMBL21243832 | 0.79 | SRD5A2 (0.72) | CA2CAMK2ASRD5A2AKR1B1FFAR1 | |
| SCHEMBL2999416 | 0.79 | SRD5A2 (0.72) | CA2CAMK2ASRD5A2AKR1B1FFAR1 | |
| SCHEMBL69614 | 0.78 | CA2 (0.79) | CA2CAMK2AAKR1B1FFAR1PTGS1 | |
| SCHEMBL6549531 | 0.77 | LTA4H (0.48) | CA2TSHR | |
| SCHEMBL23751423 | 0.75 | SRD5A2 (0.58) | CA2CAMK2ASRD5A2AKR1B1FFAR1 | |
| SCHEMBL7409326 | 0.75 | CA2 (0.56) | CA2CAMK2ASRD5A2AKR1B1FFAR1 | |
| SCHEMBL18861120 | 0.75 | CA2 (0.56) | CA2CAMK2ASRD5A2AKR1B1FFAR1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112203661-A | Compositions comprising a difluoroalkyl-1, 4-benzodiazepine compound and an immunotherapeutic agent and methods of using the same | 艾雅拉制药公司 | 2021-01-08 | — | — | CN | claimed |
| CN-112203661-A | Compositions comprising a difluoroalkyl-1, 4-benzodiazepine compound and an immunotherapeutic agent and methods of using the same | 艾雅拉制药公司 | 2021-01-08 | — | — | CN | disclosed |