Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 5/20 | 0.48 |
| ▸ | CES2 | O00748 | 4/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | ESR1 | P03372 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | AKT1 | P31749 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL2117787 | 0.82 | TSHR (0.48) | CES1CES2TSHRESR1LMNA | |
| SCHEMBL22607732 | 0.79 | CES2 (0.46) | CES1CES2TSHRESR1LMNA | |
| SCHEMBL580769 | 0.74 | TSHR (0.45) | CES1CES2TSHRLMNASMN1; SMN2 | |
| SCHEMBL8193602 | 0.72 | KMT2A (0.46) | CES1CES2TSHRLMNASMN1; SMN2 | |
| SCHEMBL7748561 | 0.72 | KMT2A (0.64) | CES1TSHRLMNASMN1; SMN2HPGD | |
| SCHEMBL28473252 | 0.72 | TDP1 (0.37) | TSHRLMNASMN1; SMN2L3MBTL1KDM4E | |
| Methyl Benzoate SCHEMBL28578805 | 0.72 | TSHR (0.70) | CES1CES2TSHRLMNASMN1; SMN2 | |
| SCHEMBL392449 | 0.72 | CES2 (0.56) | CES1CES2ESR1LMNAPTGS2 | |
| SCHEMBL818007 | 0.72 | CES2 (0.56) | CES1CES2ESR1LMNAPTGS2 | |
| SCHEMBL4326009 | 0.72 | ESR1 (0.64) | CES1CES2ESR1LMNAPTGS2 |
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-5952504-A | REACTING A SULFONATED, HALOGENATED OR PHOSPHONATED 1,7-NAPHTHYRIDINE COMPOUNDS WITH AN AROMATIC AMINE DERIVATIVE; ANTIULCER AGENT | YUNGJIN PHARMACEUTICAL COMPANY, LTD. (KR) | 1999-09-14 | — | — | US | disclosed |
| EP-0843677-A1 | 4-AMINO-3-ACYLNAPHTHYRIDINE DERIVATIVES | YUNGJIN PHARMACEUTICAL CO., LTD. (KR) | 1998-05-27 | — | — | EP | disclosed |