Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.36 |
| ▸ | CHRNA5 | P30532 | 1/20 | 0.36 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | GRK2 | P25098 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | ITGAV | P06756 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9836356 | 0.85 | FOLH1 (0.44) | CYP2C9CYP2C19CYP3A4CYP2D6NPC1 | |
| SCHEMBL14938949 | 0.79 | FOLH1 (0.45) | LMNACHRNB2CHRNA5CHRNA7CHRNA4 | |
| SCHEMBL8447511 | 0.79 | FOLH1 (0.45) | LMNACHRNB2CHRNA5CHRNA7CHRNA4 | |
| SCHEMBL8445805 | 0.79 | FOLH1 (0.45) | LMNACHRNB2CHRNA5CHRNA7CHRNA4 | |
| SCHEMBL9836346 | 0.75 | TDP1 (0.46) | LMNACHRNB2CHRNA5CHRNA7CHRNA4 | |
| SCHEMBL8447584 | 0.73 | CES2 (0.46) | LMNACHRNB2CHRNA5CHRNA7CHRNA4 | |
| SCHEMBL8448905 | 0.73 | CES2 (0.46) | LMNACHRNB2CHRNA5CHRNA7CHRNA4 | |
| SCHEMBL14958316 | 0.73 | CYP1A2 (0.50) | CYP1A2CYP2C9CYP2C19LMNACYP3A4 | |
| SCHEMBL14894872 | 0.72 | CYP1A2 (0.49) | CYP1A2CYP2C9CYP2C19LMNACYP3A4 | |
| SCHEMBL14938947 | 0.70 | ATM (0.37) | NPSR1CHRNB2CHRNA5CHRNA7CHRNA4 |
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 3 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 |