Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPBAR1 | Q8TDU6 | 7/20 | 0.66 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.59 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.59 |
| ▸ | GHSR | Q92847 | 1/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL1931107 | 0.89 | GPBAR1 (0.66) | GPBAR1PTGS1PTGS2GHSRTDP1 | |
| SCHEMBL892042 | 0.83 | KMT2A (0.71) | GPBAR1KMT2AMEN1GAATSHR | |
| SCHEMBL2779302 | 0.83 | TDP1 (0.66) | GPBAR1PTGS1PTGS2GHSRTDP1 | |
| SCHEMBL5708155 | 0.82 | GPBAR1 (0.66) | GPBAR1GHSRKMT2AMEN1GAA | |
| SCHEMBL11518716 | 0.81 | GPBAR1 (0.48) | GPBAR1PTGS2KMT2AMEN1GAA | |
| SCHEMBL11517059 | 0.80 | MEN1 (0.55) | GPBAR1KMT2AMEN1GAATSHR | |
| SCHEMBL3451560 | 0.79 | TSHR (0.75) | GPBAR1PTGS2TDP1KMT2AMEN1 | |
| SCHEMBL17055597 | 0.79 | PTGS1 (0.69) | GPBAR1PTGS1PTGS2GHSRTDP1 | |
| SCHEMBL3978326 | 0.77 | HTT (0.54) | GPBAR1PTGS1PTGS2GHSRTDP1 | |
| SCHEMBL11515850 | 0.77 | GPBAR1 (0.59) | GPBAR1KMT2AMEN1GAATSHR |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4155905-A | 6-Substituted penicillanic acid and derivatives thereof | E. R. SQUIBB & SONS, INC. (US) | 1979-05-22 | — | — | US | disclosed |
| US-4077967-A | 6-Substituted penicillanic acid and derivatives thereof | E. R. SQUIBB & SONS, INC. (US) | 1978-03-07 | — | — | US | disclosed |
| US-4061629-A | 6-Amino-6-arylthio penicillanic acids and derivatives thereof | E. R. SQUIBB & SONS, INC. (US) | 1977-12-06 | — | — | US | disclosed |
| US-4061851-A | 7-Amino-7-arylthio cephalosporins | E. R. SQUIBB & SONS, INC. (US) | 1977-12-06 | — | — | US | disclosed |
| US-4029669-A | 6-Benzalimino-6-arylthio penicillanic acids and derivatives thereof | E. R. SQUIBB & SONS, INC. (US) | 1977-06-14 | — | — | US | disclosed |
| US-4026886-A | 7-Acyl-7-arylthiocephalosporins | E. R. SQUIBB & SONS, INC. (US) | 1977-05-31 | — | — | US | disclosed |
| US-3965093-A | 6-Arylthio penicillanic acid and derivatives thereof | E. R. SQUIBB & SONS, INC. (US) | 1976-06-22 | — | — | US | disclosed |
| US-3954744-A | ANTIBACTERIAL | E. R. SQUIBB & SONS, INC. (US) | 1976-05-04 | — | — | US | disclosed |