Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | TLR8 | Q9NR97 | 3/20 | 0.40 |
| ▸ | TLR7 | Q9NYK1 | 3/20 | 0.40 |
| ▸ | EGFR | P00533 | 3/20 | 0.40 |
| ▸ | ERBB2 | P04626 | 2/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | SRC | P12931 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL15469955 | 0.81 | CYP1A2 (0.55) | CYP1A2CYP2D6CYP3A4TLR8TLR7 | |
| SCHEMBL23472593 | 0.78 | CYP1A2 (0.43) | CYP1A2CYP2D6CYP3A4TLR8TLR7 | |
| SCHEMBL23472065 | 0.77 | TLR8 (0.43) | CYP1A2CYP3A4TLR8TLR7ALDH1A1 | |
| SCHEMBL20219609 | 0.76 | ALDH1A1 (0.41) | CYP1A2CYP2D6CYP3A4TLR8TLR7 | |
| SCHEMBL20219267 | 0.75 | TLR7 (0.44) | CYP1A2CYP3A4TLR8TLR7ALDH1A1 | |
| SCHEMBL23472560 | 0.74 | CYP3A4 (0.46) | CYP1A2CYP2D6CYP3A4TLR8TLR7 | |
| SCHEMBL20219599 | 0.74 | MRGPRX4 (0.45) | CYP1A2CYP2D6CYP3A4TLR8TLR7 | |
| SCHEMBL23472224 | 0.73 | GPBAR1 (0.49) | CYP1A2CYP2D6CYP3A4TLR7ALDH1A1 | |
| SCHEMBL23472141 | 0.73 | SMN1; SMN2 (0.50) | TSHRLMNASMN1; SMN2MEN1KMT2A | |
| SCHEMBL23472589 | 0.73 | CCNB2 (0.37) | CYP1A2CYP3A4TLR8TLR7CYP11B1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3590928-B1 | PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS | JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) | 2021-06-09 | — | — | EP | disclosed |