Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 5/20 | 1.00 |
| ▸ | HTT | P42858 | 1/20 | 1.00 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.71 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.71 |
| ▸ | TP53 | P04637 | 1/20 | 0.56 |
| ▸ | PKM | P14618 | 1/20 | 0.56 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.56 |
| ▸ | THPO | P40225 | 1/20 | 0.56 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.56 |
| ▸ | CHRM4 | P08173 | 5/20 | 0.56 |
| ▸ | CHRM5 | P08912 | 5/20 | 0.56 |
| ▸ | CHRM1 | P11229 | 5/20 | 0.56 |
| ▸ | CHRM3 | P20309 | 5/20 | 0.56 |
| ▸ | CHRM2 | P08172 | 4/20 | 0.56 |
| ▸ | LMNA | P02545 | 3/20 | 0.56 |
| ▸ | THRB | P10828 | 3/20 | 0.56 |
| ▸ | BLM | P54132 | 3/20 | 0.56 |
| ▸ | PMP22 | Q01453 | 3/20 | 0.56 |
| ▸ | MEN1 | O00255 | 3/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL17301740 | 0.88 | CYP2D6 (0.79) | CYP2D6HTTCYP3A4CYP1A2CHRM4 | |
| SCHEMBL17294641 | 0.88 | CYP2D6 (0.79) | CYP2D6HTTCYP3A4CYP1A2CHRM4 | |
| SCHEMBL29546267 | 0.88 | CYP2D6 (0.79) | CYP2D6HTTCYP3A4CYP1A2CHRM4 | |
| SCHEMBL17294639 | 0.88 | CYP2D6 (0.79) | CYP2D6HTTCYP3A4CYP1A2CHRM4 | |
| SCHEMBL17294712 | 0.88 | CYP2D6 (0.79) | CYP2D6HTTCYP3A4CYP1A2CHRM4 | |
| SCHEMBL17294709 | 0.88 | CYP2D6 (0.79) | CYP2D6HTTCYP3A4CYP1A2CHRM4 | |
| SCHEMBL17294643 | 0.88 | CYP2D6 (0.79) | CYP2D6HTTCYP3A4CYP1A2CHRM4 | |
| SCHEMBL29546616 | 0.88 | CYP2D6 (0.79) | CYP2D6HTTCYP3A4CYP1A2CHRM4 | |
| SCHEMBL17294707 | 0.88 | CYP2D6 (0.79) | CYP2D6HTTCYP3A4CYP1A2CHRM4 | |
| SCHEMBL16789084 | 0.87 | CYP2D6 (0.77) | CYP2D6HTTCYP3A4CYP1A2CHRM4 |
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-3148518-B1 | NOVEL COMPOUNDS AS ANTI-TUBERCULAR AGENTS | SPHAERA PHARMA PRIVATE LTD (IN) | 2022-11-30 | — | — | EP | disclosed |