Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 2/20 | 0.44 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.35 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.35 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.35 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9400006 | 0.93 | CCR5 (0.44) | CCR5ALDH1A1MAPTHPGDATM | |
| Trifluoromethanesulfonic Acid SCHEMBL9020769 | 0.87 | CCR5 (0.46) | CCR5ALDH1A1MAPTHPGDATM | |
| SCHEMBL9020800 | 0.85 | CCR5 (0.42) | CCR5ALDH1A1MAPTHPGDATM | |
| SCHEMBL9399937 | 0.84 | CCR5 (0.45) | CCR5KCNJ1ALDH1A1MAPTHPGD | |
| Hydrochloric Acid SCHEMBL9399783 | 0.84 | ALDH1A1 (0.43) | CCR5ALDH1A1MAPTHPGDATM | |
| Hydrochloric Acid SCHEMBL9400131 | 0.84 | CCR5 (0.45) | CCR5KCNJ1ALDH1A1MAPTHPGD | |
| SCHEMBL9020217 | 0.82 | CCR5 (0.43) | CCR5ALDH1A1MAPTHPGDATM | |
| SCHEMBL9399680 | 0.80 | CCR5 (0.42) | CCR5KCNJ1ALDH1A1MAPTHPGD | |
| SCHEMBL9399827 | 0.80 | ALDH1A1 (0.45) | CCR5ALDH1A1MAPTHPGDATM | |
| SCHEMBL9399880 | 0.80 | CCR5 (0.49) | CCR5ATMTDP1 |
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 |