Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.63 |
| ▸ | CES1 | P23141 | 2/20 | 0.63 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.63 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | DAO | P14920 | 1/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 4/20 | 0.38 |
| ▸ | RAB9A | P51151 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL12238427 | 0.83 | CES2 (0.63) | CES2CES1KEAP1ALOX5TSHR | |
| SCHEMBL2547968 | 0.83 | CES2 (0.63) | CES2CES1KEAP1ALOX5TSHR | |
| SCHEMBL12238428 | 0.83 | CES2 (0.63) | CES2CES1KEAP1ALOX5TSHR | |
| SCHEMBL14828713 | 0.81 | CES2 (0.61) | CES2CES1KEAP1ALOX5TSHR | |
| SCHEMBL7955355 | 0.81 | CES2 (0.61) | CES2CES1KEAP1ALOX5TSHR | |
| SCHEMBL20272567 | 0.80 | CES2 (0.56) | CES2CES1KEAP1ALOX5TSHR | |
| SCHEMBL11877868 | 0.78 | CES2 (0.58) | CES2CES1KEAP1ALOX5TSHR | |
| SCHEMBL6250431 | 0.78 | CES2 (1.00) | CES2CES1KEAP1ALOX5TSHR | |
| SCHEMBL18824383 | 0.77 | CES2 (0.52) | CES2CES1KEAP1ALOX5TSHR | |
| SCHEMBL8505076 | 0.77 | ALOX5 (0.51) | CES2CES1KEAP1ALOX5TSHR |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4407815-A | AMINO ACID DERIVATIVE ANTIBIOTICS | BEECHAM GROUP LIMITED (GB) | 1983-10-04 | — | — | US | claimed |
| EP-0034443-B1 | BETA-LACTAM ANTIBACTERIAL COMPOUNDS, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | BEECHAM GROUP PLC (GB) | 1984-09-26 | — | — | EP | disclosed |
| US-4407815-A | AMINO ACID DERIVATIVE ANTIBIOTICS | BEECHAM GROUP LIMITED (GB) | 1983-10-04 | — | — | US | disclosed |
| US-4387051-A | β-Lactam antibiotics, their preparation and their use in pharmaceutical compositions | BEECHAM GROUP LIMITED (GB) | 1983-06-07 | — | — | US | disclosed |
| EP-0073100-A1 | Beta-lactam compounds, their preparation and their use | BEECHAM GROUP PLC (GB) | 1983-03-02 | — | — | EP | disclosed |
| US-4329454-A | Cephalosporin compounds | ELI LILLY AND COMPANY (US) | 1982-05-11 | — | — | US | disclosed |
| EP-0034443-A2 | Beta-lactam antibacterial compounds, their preparation and pharmaceutical compositions containing them | BEECHAM GROUP PLC (GB) | 1981-08-26 | — | — | EP | disclosed |
| EP-0028497-A1 | Beta-lactam antibiotics, their preparation and their use in pharmaceutical compositions | BEECHAM GROUP PLC (GB) | 1981-05-13 | — | — | EP | disclosed |
| US-4144391-A | REPLACING AN ACETOXY GROUP BY A SULFUR NUCLEOPHILE | ELI LILLY AND COMPANY (US) | 1979-03-13 | — | — | US | disclosed |