Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | CCR5 | P51681 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL9399415 | 0.92 | ALDH1A1 (0.42) | ALDH1A1MAPTHPGDCCR5TDP1 | |
| SCHEMBL9399827 | 0.85 | ALDH1A1 (0.45) | ALDH1A1MAPTHPGDCCR5TDP1 | |
| SCHEMBL9020800 | 0.84 | CCR5 (0.42) | ALDH1A1MAPTHPGDCCR5TDP1 | |
| SCHEMBL9020989 | 0.83 | ALDH1A1 (0.43) | ALDH1A1MAPTHPGDCCR5TDP1 | |
| SCHEMBL9020353 | 0.83 | ALDH1A1 (0.43) | ALDH1A1MAPTHPGDCCR5TDP1 | |
| SCHEMBL9020217 | 0.83 | CCR5 (0.43) | ALDH1A1MAPTHPGDCCR5TDP1 | |
| Hydrochloric Acid SCHEMBL9399783 | 0.83 | ALDH1A1 (0.43) | ALDH1A1MAPTHPGDCCR5TDP1 | |
| Hydrochloric Acid SCHEMBL9400006 | 0.82 | CCR5 (0.44) | ALDH1A1MAPTHPGDCCR5TDP1 | |
| SCHEMBL9020638 | 0.82 | TDP1 (0.40) | ALDH1A1MAPTHPGDCCR5TDP1 | |
| Hydrochloric Acid SCHEMBL9399225 | 0.81 | ALDH1A1 (0.42) | ALDH1A1MAPTHPGDCCR5TDP1 |
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 |