Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.76 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.76 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.76 |
| ▸ | HTT | P42858 | 1/20 | 0.66 |
| ▸ | BCHE | P06276 | 6/20 | 0.64 |
| ▸ | MAOB | P27338 | 3/20 | 0.64 |
| ▸ | TP53 | P04637 | 1/20 | 0.58 |
| ▸ | PKM | P14618 | 1/20 | 0.58 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.58 |
| ▸ | THPO | P40225 | 1/20 | 0.58 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.57 |
| ▸ | MEN1 | O00255 | 1/20 | 0.57 |
| ▸ | GMNN | O75496 | 1/20 | 0.57 |
| ▸ | LMNA | P02545 | 1/20 | 0.57 |
| ▸ | MAPT | P10636 | 1/20 | 0.57 |
| ▸ | THRB | P10828 | 1/20 | 0.57 |
| ▸ | BLM | P54132 | 1/20 | 0.57 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| Piperidolate SCHEMBL249131 | 0.86 | CYP2D6 (1.00) | CYP3A4CYP2D6CYP1A2HTTBCHE | |
| Piperidolate SCHEMBL28832658 | 0.86 | CYP2D6 (1.00) | CYP3A4CYP2D6CYP1A2HTTBCHE | |
| Piperidolate SCHEMBL437741 | 0.85 | CYP3A4 (1.00) | CYP3A4CYP2D6CYP1A2HTTBCHE | |
| Piperidolate SCHEMBL2734595 | 0.85 | CYP2D6 (0.98) | CYP3A4CYP2D6CYP1A2HTTBCHE | |
| SCHEMBL9667144 | 0.85 | CYP2D6 (0.74) | CYP3A4CYP2D6CYP1A2HTTBCHE | |
| Piperidolate SCHEMBL1649482 | 0.84 | CYP2D6 (0.95) | CYP3A4CYP2D6CYP1A2HTTBCHE | |
| Bromide SCHEMBL9667278 | 0.84 | CYP2D6 (0.73) | CYP3A4CYP2D6CYP1A2HTTBCHE | |
| Hydrochloric Acid SCHEMBL9668762 | 0.84 | LMNA (0.75) | CYP3A4CYP2D6CYP1A2HTTBCHE | |
| SCHEMBL7588607 | 0.83 | CYP2D6 (0.73) | CYP3A4CYP2D6CYP1A2HTTBCHE | |
| SCHEMBL19038337 | 0.82 | BCHE (0.72) | CYP3A4CYP2D6CYP1A2BCHEMAOB |
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 |