Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A5 | Q9Y345 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | SLC15A2 | Q16348 | 1/20 | 0.50 |
| ▸ | ITGB2 | P05107 | 3/20 | 0.46 |
| ▸ | ICAM1 | P05362 | 3/20 | 0.46 |
| ▸ | ITGAL | P20701 | 3/20 | 0.46 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.44 |
| ▸ | FAAH | O00519 | 1/20 | 0.44 |
| ▸ | CNR1 | P21554 | 1/20 | 0.44 |
| ▸ | CNR2 | P34972 | 1/20 | 0.44 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.44 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.43 |
| ▸ | HRH2 | P25021 | 1/20 | 0.43 |
| ▸ | HRH1 | P35367 | 1/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL10031610 | 0.91 | SLC6A5 (0.53) | SLC6A5CYP3A4CYP2D6TSHRCYP2C19 | |
| SCHEMBL16364168 | 0.86 | CYP3A4 (0.54) | SLC6A5CYP3A4CYP2D6TSHRCYP2C19 | |
| Carnosine SCHEMBL1160796 | 0.85 | SLC15A2 (0.63) | SLC6A5CYP3A4CYP2D6TSHRCYP2C19 | |
| Carnosine SCHEMBL22392772 | 0.85 | SLC15A2 (0.63) | SLC6A5CYP3A4CYP2D6TSHRCYP2C19 | |
| Carnosine SCHEMBL1161102 | 0.85 | SLC15A2 (0.63) | SLC6A5CYP3A4CYP2D6TSHRCYP2C19 | |
| SCHEMBL18381283 | 0.84 | SLC6A5 (0.51) | SLC6A5CYP3A4CYP2D6TSHRCYP2C19 | |
| SCHEMBL18381307 | 0.84 | CYP3A4 (0.52) | SLC6A5CYP3A4CYP2D6TSHRCYP2C19 | |
| SCHEMBL21089953 | 0.84 | CYP3A4 (0.52) | SLC6A5CYP3A4CYP2D6TSHRCYP2C19 | |
| SCHEMBL16551861 | 0.84 | CYP3A4 (0.52) | SLC6A5CYP3A4CYP2D6TSHRCYP2C19 | |
| Carnosine SCHEMBL30129832 | 0.84 | SLC15A2 (0.61) | SLC6A5CYP3A4CYP2D6TSHRCYP2C19 |
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 |