Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 6/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.40 |
| ▸ | JAK2 | O60674 | 1/20 | 0.40 |
| ▸ | JAK1 | P23458 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL9399880 | 0.91 | CCR5 (0.49) | CCR5TDP1AGTR2ATMRAB9A | |
| SCHEMBL9020939 | 0.83 | CCR5 (0.44) | CCR5ALDH1A1LMNAMAPTGPR119 | |
| SCHEMBL7860693 | 0.81 | TDP1 (0.43) | CCR5ALDH1A1TDP1ATMNPC1 | |
| SCHEMBL9363103 | 0.81 | MGLL (0.41) | CCR5ALDH1A1TDP1ATMPARP1 | |
| SCHEMBL9399205 | 0.80 | CCR5 (0.45) | CCR5ALDH1A1LMNAMAPTGPR119 | |
| SCHEMBL9020004 | 0.80 | CCR5 (0.41) | CCR5ALDH1A1LMNAMAPTTDP1 | |
| SCHEMBL9399096 | 0.80 | ALDH1A1 (0.43) | CCR5ALDH1A1LMNAMAPTGPR119 | |
| SCHEMBL7805543 | 0.79 | TDP1 (0.43) | CCR5ALDH1A1MAPTTDP1ATM | |
| SCHEMBL9363174 | 0.79 | CCR5 (0.42) | CCR5TDP1ATM | |
| SCHEMBL9366889 | 0.79 | CCR5 (0.44) | CCR5JAK2JAK1TDP1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5374720-A | A thienamycins bactericides has nontoxic, side effect reduction against the kidney and central nervous system | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1994-12-20 | — | — | US | disclosed |