Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.72 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.72 |
| ▸ | TSHR | P16473 | 1/20 | 0.72 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.72 |
| ▸ | LMNA | P02545 | 1/20 | 0.70 |
| ▸ | QPCT | Q16769 | 1/20 | 0.66 |
| ▸ | QPCTL | Q9NXS2 | 1/20 | 0.66 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.66 |
| ▸ | MEN1 | O00255 | 3/20 | 0.66 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.66 |
| ▸ | MAPT | P10636 | 1/20 | 0.66 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.66 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.66 |
| ▸ | POLB | P06746 | 1/20 | 0.56 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL17481128 | 0.89 | CYP3A4 (0.82) | CYP3A4CYP2D6TSHRCYP2C19LMNA | |
| SCHEMBL31483846 | 0.87 | QPCT (0.83) | CYP3A4CYP2D6TSHRCYP2C19LMNA | |
| SCHEMBL13033285 | 0.87 | CYP3A4 (0.74) | CYP3A4CYP2D6TSHRCYP2C19LMNA | |
| SCHEMBL17481134 | 0.86 | CYP3A4 (0.78) | CYP3A4CYP2D6TSHRCYP2C19LMNA | |
| SCHEMBL17483163 | 0.86 | CYP3A4 (0.78) | CYP3A4CYP2D6TSHRCYP2C19LMNA | |
| SCHEMBL29419585 | 0.85 | CYP3A4 (0.76) | CYP3A4CYP2D6TSHRCYP2C19LMNA | |
| SCHEMBL17481127 | 0.84 | CYP3A4 (0.74) | CYP3A4CYP2D6TSHRCYP2C19LMNA | |
| Carcinine SCHEMBL19051459 | 0.84 | TSHR (1.00) | CYP3A4CYP2D6TSHRCYP2C19LMNA | |
| SCHEMBL18381205 | 0.84 | CYP3A4 (0.74) | CYP3A4CYP2D6TSHRCYP2C19LMNA | |
| SCHEMBL13033264 | 0.83 | QPCT (0.71) | CYP3A4CYP2D6TSHRCYP2C19LMNA |
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-3481383-B1 | COMPOSITIONS AND METHODS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME | CELLIX BIO PRIVATE LTD (IN) | 2023-06-14 | — | — | EP | disclosed |