Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA9 | Q16790 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | BCHE | P06276 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 4/20 | 0.35 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7997727 | 1.00 | CYP3A4 (0.39) | CYP3A4CYP2D6OPRK1CA12CA1 | |
| SCHEMBL7997717 | 0.84 | NPSR1 (0.47) | CYP3A4CYP2D6OPRK1CA12CA1 | |
| SCHEMBL7996398 | 0.83 | CYP3A4 (0.40) | CYP3A4CYP2D6OPRK1CA12CA1 | |
| SCHEMBL7997799 | 0.82 | LMNA (0.41) | CYP3A4CYP2D6OPRK1CA12CA1 | |
| SCHEMBL7994258 | 0.82 | CA12 (0.44) | CYP3A4CYP2D6OPRK1CA12CA1 | |
| SCHEMBL7998431 | 0.77 | CYP3A4 (0.40) | CYP3A4CYP2D6OPRK1CA12CA1 | |
| SCHEMBL7983691 | 0.75 | LMNA (0.38) | CYP3A4CYP2D6OPRK1CA12CA1 | |
| SCHEMBL8001778 | 0.74 | F2 (0.33) | CYP3A4CYP2D6OPRK1CA12CA1 | |
| SCHEMBL7998436 | 0.73 | CYP3A4 (0.42) | CYP3A4CYP2D6OPRK1CA12CA1 | |
| SCHEMBL7998218 | 0.70 | SLC29A1 (0.46) | CYP3A4CYP2D6OPRK1CA12CA1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001034578-A1 | COMPOUNDS WITH ANTI-HELICOBACTER PYLORI ACTIVITY | ASTRAZENECA AB (SE) | 2001-05-17 | — | — | WO | disclosed |