Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.38 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.34 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 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 | |
|---|---|---|---|---|
| Toluene SCHEMBL9561498 | 1.00 | TDP1 (0.48) | TDP1LMNATSHRALOX12ACHE | |
| Toluene SCHEMBL8122669 | 1.00 | TDP1 (0.48) | TDP1LMNATSHRALOX12ACHE | |
| SCHEMBL62547 | 0.86 | TDP1 (0.39) | TDP1TSHRCYP4F2CYP4A11KDM4E | |
| Toluene SCHEMBL11203923 | 0.84 | BCHE (0.42) | TDP1LMNATSHRALOX12ACHE | |
| Toluene SCHEMBL3501801 | 0.82 | TDP1 (0.45) | TDP1LMNATSHRALOX12ACHE | |
| Toluene SCHEMBL7558595 | 0.82 | TDP1 (0.45) | TDP1LMNATSHRALOX12ACHE | |
| Toluene SCHEMBL4286321 | 0.82 | TDP1 (0.45) | TDP1LMNATSHRALOX12ACHE | |
| Toluene SCHEMBL2566595 | 0.82 | TDP1 (0.45) | TDP1LMNATSHRALOX12ACHE | |
| Phenylethyl Alcohol SCHEMBL8849309 | 0.80 | TDP1 (0.76) | TDP1LMNATSHRALOX12ACHE | |
| Phenylethyl Alcohol SCHEMBL5675914 | 0.80 | TDP1 (0.76) | TDP1LMNATSHRALOX12ACHE |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6251917-B1 | Benzamidoaldehydes and their use as cysteine protease inhibitors | BASF AKTIENGESELLSCHAFT (DE) | 2001-06-26 | — | — | US | disclosed |
| CN-1238761-A | benzamide aldehydes and their use as cysteine protease inhibitors | BASF AG (DE) | 1999-12-15 | — | — | CN | disclosed |