Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 7/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.34 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | BCHE | P06276 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Trifluoromethanesulfonic Acid SCHEMBL9020769 | 0.89 | CCR5 (0.46) | CCR5ALDH1A1MAPTHPGDTDP1 | |
| Trifluoromethanesulfonic Acid SCHEMBL9124695 | 0.83 | CCR5 (0.36) | CCR5RAB9ANPC1DPP8DPP9 | |
| Trifluoromethanesulfonic Acid SCHEMBL9126964 | 0.82 | CCR5 (0.35) | CCR5RAB9ANPC1DPP8DPP9 | |
| SCHEMBL9020217 | 0.80 | CCR5 (0.43) | CCR5RAB9ANPC1DPP8DPP9 | |
| Hydrochloric Acid SCHEMBL9400131 | 0.79 | CCR5 (0.45) | CCR5ALDH1A1MAPTHPGDTDP1 | |
| SCHEMBL9020800 | 0.79 | CCR5 (0.42) | CCR5RAB9ANPC1DPP8DPP9 | |
| Trifluoroacetic Acid SCHEMBL9399300 | 0.78 | CCR5 (0.44) | CCR5ALDH1A1MAPTHPGDTDP1 | |
| Hydrochloric Acid SCHEMBL9400006 | 0.77 | CCR5 (0.44) | CCR5RAB9ANPC1ALDH1A1MAPT | |
| Trifluoromethanesulfonic Acid SCHEMBL9299612 | 0.77 | ALDH1A1 (0.44) | CCR5RAB9ADPP8DPP9ALDH1A1 | |
| Trifluoromethanesulfonic Acid SCHEMBL8438040 | 0.76 | HRH2 (0.36) | CCR5DPP8DPP9ALDH1A1TDP1 |
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 |