Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.52 |
| ▸ | PPM1B | O75688 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.49 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.48 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.48 |
| ▸ | CHRNA5 | P30532 | 1/20 | 0.48 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.43 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9837749 | 1.00 | CES2 (0.52) | CES2PPM1BTDP1CHRNA7CHRNB2 | |
| SCHEMBL13286850 | 0.93 | PPM1B (0.56) | CES2PPM1BTDP1CHRNA7CHRNB2 | |
| SCHEMBL21458033 | 0.87 | CHRNB2 (0.51) | CES2PPM1BTDP1CHRNA7CHRNB2 | |
| SCHEMBL21458031 | 0.87 | CHRNB2 (0.51) | CES2PPM1BTDP1CHRNA7CHRNB2 | |
| SCHEMBL21458055 | 0.87 | CHRNB2 (0.51) | CES2PPM1BTDP1CHRNA7CHRNB2 | |
| SCHEMBL10572585 | 0.85 | PPM1B (0.50) | CES2PPM1BTDP1CHRNA7CHRNB2 | |
| SCHEMBL8183690 | 0.85 | PPM1B (0.52) | CES2PPM1BTDP1CHRNA7CHRNB2 | |
| SCHEMBL8191270 | 0.85 | PPM1B (0.52) | CES2PPM1BTDP1CHRNA7CHRNB2 | |
| SCHEMBL29820048 | 0.84 | CHRNB2 (0.52) | CES2PPM1BTDP1CHRNA7CHRNB2 | |
| SCHEMBL21306551 | 0.84 | CHRNB2 (0.52) | CES2PPM1BTDP1CHRNA7CHRNB2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0159264-B1 | ANTIVIRAL COMPOUNDS | MERCK & CO. INC. (US) | 1991-07-24 | — | — | EP | disclosed |
| US-4859680-A | Pyrimidine derivatives as antiviral compounds | MERCK & CO., INC. (US) | 1989-08-22 | — | — | US | disclosed |
| US-4617304-A | VIRICIDE; HERPES | MERCK & CO., INC. (US) | 1986-10-14 | — | — | US | disclosed |
| EP-0159264-A2 | Antiviral compounds | MERCK & CO. INC. (US) | 1985-10-23 | — | — | EP | disclosed |