Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.65 |
| ▸ | TSHR | P16473 | 2/20 | 0.65 |
| ▸ | CES2 | O00748 | 1/20 | 0.64 |
| ▸ | CES1 | P23141 | 1/20 | 0.64 |
| ▸ | MEN1 | O00255 | 3/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.57 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 3/20 | 0.56 |
| ▸ | HTT | P42858 | 2/20 | 0.56 |
| ▸ | MITF | O75030 | 1/20 | 0.56 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.56 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.56 |
| ▸ | ATM | Q13315 | 1/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.54 |
| ▸ | POLB | P06746 | 1/20 | 0.54 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| Methyl Alcohol SCHEMBL27717832 | 0.95 | TP53 (0.69) | TP53ALDH1A1TSHRCES2CES1 | |
| SCHEMBL333455 | 0.95 | TP53 (0.73) | TP53ALDH1A1TSHRCES2CES1 | |
| Methylamine SCHEMBL27764628 | 0.93 | TP53 (0.67) | TP53ALDH1A1TSHRCES2CES1 | |
| SCHEMBL28285481 | 0.93 | TP53 (0.67) | TP53ALDH1A1TSHRCES2CES1 | |
| SCHEMBL11295596 | 0.93 | TP53 (0.71) | TP53ALDH1A1TSHRCES2CES1 | |
| Hydrogen Sulfide SCHEMBL27626885 | 0.93 | TP53 (0.71) | TP53ALDH1A1TSHRCES2CES1 | |
| SCHEMBL28129120 | 0.93 | TP53 (0.71) | TP53ALDH1A1TSHRCES2CES1 | |
| Bromide SCHEMBL28137305 | 0.93 | TP53 (0.71) | TP53ALDH1A1TSHRCES2CES1 | |
| Ammonia Solution, Strong SCHEMBL27493385 | 0.93 | TP53 (0.71) | TP53ALDH1A1TSHRCES2CES1 | |
| Iodide SCHEMBL28290571 | 0.93 | TP53 (0.71) | TP53ALDH1A1TSHRCES2CES1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101015695-A | Retroviral protease inhibitor combination | SEARLE & CO (US) | 2007-08-15 | — | — | CN | disclosed |
| CN-1290500-C | Combinations of retroviral protease inhibitors | SEARLE & CO (US) | 2006-12-20 | — | — | CN | disclosed |
| CN-1166786-A | Combinations of retroviral protease inhibitors | SEARLE & CO (US) | 1997-12-03 | — | — | CN | disclosed |