Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 5/20 | 0.40 |
| ▸ | CES2 | O00748 | 4/20 | 0.40 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | DAO | P14920 | 1/20 | 0.40 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.37 |
| ▸ | CA2 | P00918 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | CA12 | O43570 | 3/20 | 0.37 |
| ▸ | CA1 | P00915 | 3/20 | 0.37 |
| ▸ | CA9 | Q16790 | 3/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CA4 | P22748 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5804921 | 0.79 | ALDH1A1 (0.39) | CES1CES2TSHRALDH1A1DAO | |
| Methane SCHEMBL6543924 | 0.77 | ALDH1A1 (0.38) | CES1CES2TSHRALDH1A1DAO | |
| SCHEMBL10826001 | 0.70 | FFAR1 (0.38) | CES1ALDH1A1TDP1MAPTCYP3A4 | |
| SCHEMBL9811397 | 0.69 | CES1 (0.48) | CES1CES2TSHRALDH1A1DAO | |
| SCHEMBL1025147 | 0.69 | CES1 (0.48) | CES1CES2TSHRALDH1A1DAO | |
| SCHEMBL535862 | 0.69 | CES1 (0.48) | CES1CES2TSHRALDH1A1DAO | |
| SCHEMBL144974 | 0.67 | CES1 (0.52) | CES1CES2TSHRALDH1A1DAO | |
| SCHEMBL8745554 | 0.65 | TDP1 (0.52) | CES1CES2TSHRALDH1A1DAO | |
| SCHEMBL5582134 | 0.65 | TDP1 (0.46) | CES1CES2TSHRALDH1A1DAO | |
| SCHEMBL11503204 | 0.65 | CES1 (0.48) | CES1CES2TSHRALDH1A1DAO |
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-5112967-A | PROCESS FOR SYNTHESIZING ANTIBACTERIAL CEPHALOSPORIN COMPOUNDS | HOFFMANN-LA ROCHES INC. (US) | 1992-05-12 | — | — | US | disclosed |