Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.62 |
| ▸ | TSHR | P16473 | 1/20 | 0.62 |
| ▸ | CES2 | O00748 | 3/20 | 0.60 |
| ▸ | CES1 | P23141 | 3/20 | 0.60 |
| ▸ | NAAA | Q02083 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Benzoyl Chloride SCHEMBL29001581 | 0.91 | CES2 (0.59) | ALDH1A1CES2CES1NAAAL3MBTL1 | |
| Benzoyl Chloride SCHEMBL27256213 | 0.89 | CES2 (0.58) | ALDH1A1CES2CES1NAAAL3MBTL1 | |
| Benzoyl Chloride SCHEMBL27691168 | 0.89 | CES2 (0.58) | ALDH1A1TSHRCES2CES1NAAA | |
| Benzene SCHEMBL27946899 | 0.85 | TSHR (0.86) | ALDH1A1TSHRCES2CES1TP53 | |
| Benzene SCHEMBL28098490 | 0.85 | TSHR (0.86) | ALDH1A1TSHRCES2CES1TP53 | |
| Benzoyl Chloride SCHEMBL27674335 | 0.85 | CES2 (0.56) | CES2CES1NAAAL3MBTL1TDP1 | |
| Toluene SCHEMBL28654661 | 0.84 | ALDH1A1 (0.64) | ALDH1A1TSHRCES2CES1TP53 | |
| Toluene SCHEMBL28998134 | 0.84 | ALDH1A1 (0.64) | ALDH1A1TSHRCES2CES1TP53 | |
| Toluene SCHEMBL28012293 | 0.84 | ALDH1A1 (0.64) | ALDH1A1TSHRCES2CES1TP53 | |
| Toluene SCHEMBL28139939 | 0.84 | ALDH1A1 (0.64) | ALDH1A1TSHRCES2CES1TP53 |
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-5057156-A | Containing phosphorous compound | NIPPON PAINT CO., LTD. (JP) | 1991-10-15 | — | — | US | disclosed |