Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.72 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.64 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.64 |
| ▸ | MAPT | P10636 | 7/20 | 0.62 |
| ▸ | NR1I2 | O75469 | 5/20 | 0.60 |
| ▸ | SLC22A6 | Q4U2R8 | 4/20 | 0.60 |
| ▸ | SLC22A8 | Q8TCC7 | 4/20 | 0.60 |
| ▸ | SLC22A11 | Q9NSA0 | 3/20 | 0.60 |
| ▸ | CTDSP1 | Q9GZU7 | 2/20 | 0.60 |
| ▸ | HPGD | P15428 | 1/20 | 0.60 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.60 |
| ▸ | PGR | P06401 | 2/20 | 0.60 |
| ▸ | ESR1 | P03372 | 2/20 | 0.60 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.60 |
| ▸ | KDR | P35968 | 1/20 | 0.60 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.59 |
| ▸ | POLB | P06746 | 2/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL11526183 | 0.94 | PTGS1 (0.71) | PTGS1L3MBTL1TDP1MAPTNR1I2 | |
| SCHEMBL11502479 | 0.93 | PTGS1 (0.72) | PTGS1L3MBTL1TDP1MAPTNR1I2 | |
| SCHEMBL11531027 | 0.92 | PTGS1 (0.71) | PTGS1L3MBTL1TDP1MAPTNR1I2 | |
| SCHEMBL11215612 | 0.92 | PTGS1 (0.82) | PTGS1L3MBTL1TDP1MAPTNR1I2 | |
| SCHEMBL8883027 | 0.92 | PTGS1 (0.82) | PTGS1L3MBTL1TDP1MAPTNR1I2 | |
| SCHEMBL11532135 | 0.91 | PTGS1 (0.70) | PTGS1L3MBTL1TDP1MAPTNR1I2 | |
| SCHEMBL11876876 | 0.91 | PTGS1 (0.74) | PTGS1L3MBTL1TDP1MAPTNR1I2 | |
| SCHEMBL11878561 | 0.90 | PTGS1 (0.69) | PTGS1L3MBTL1TDP1MAPTNR1I2 | |
| SCHEMBL11534287 | 0.89 | PTGS1 (0.67) | PTGS1L3MBTL1TDP1MAPTNR1I2 | |
| SCHEMBL11687548 | 0.88 | PTGS1 (0.66) | PTGS1L3MBTL1TDP1MAPTNR1I2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4142046-A | BACTERICIDES, 7-AMINO-CEPHALOSPORINS | SMITHKLINE CORPORATION (US) | 1979-02-27 | — | — | US | disclosed |
| US-4060610-A | Pharmaceutical compositions comprising 7-acyl-3-(substituted triazolyl thiomethyl)-cephalosporins and methods of treating bacterial infections | SMITHKLINE CORPORATION (US) | 1977-11-29 | — | — | US | disclosed |
| US-3989694-A | ANTIBACTERIAL | SMITHKLINE CORPORATION (US) | 1976-11-02 | — | — | US | disclosed |
| US-3985739-A | 3-Heterocyclic thiomethylcephalosporins | SMITHKLINE CORPORATION (US) | 1976-10-12 | — | — | US | disclosed |