Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 3/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | RAB9A | P51151 | 4/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 4/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL687742 | 0.78 | ALDH1A1 (0.49) | CYP2C19ALDH1A1RAB9ASMN1; SMN2POLB | |
| SCHEMBL8284720 | 0.74 | CYP3A4 (0.56) | CYP2C19CYP3A4CYP2D6TAAR1ALDH1A1 | |
| SCHEMBL4391756 | 0.73 | RAB9A (0.49) | CYP2C19CYP3A4CYP2D6ALDH1A1RAB9A | |
| SCHEMBL7246282 | 0.73 | CA12 (0.56) | CYP2D6TAAR1ALDH1A1RAB9AKMT2A | |
| SCHEMBL13853734 | 0.72 | RAB9A (0.51) | CYP2C19CYP3A4CYP2D6TAAR1ALDH1A1 | |
| SCHEMBL11230336 | 0.71 | SMN1; SMN2 (0.38) | ALDH1A1SMN1; SMN2POLBKMT2AMAPT | |
| SCHEMBL8353416 | 0.71 | MTNR1A (0.49) | ALDH1A1RAB9ASMN1; SMN2NPC1RECQL | |
| SCHEMBL10667562 | 0.70 | CYP3A4 (0.50) | CYP2C19CYP3A4CYP2D6TAAR1ALDH1A1 | |
| SCHEMBL4600718 | 0.70 | CYP4F2 (0.50) | ALDH1A1SMN1; SMN2NPC1MAPTGAA | |
| SCHEMBL11466037 | 0.69 | ALDH1A1 (0.47) | CYP2C19CYP3A4CYP2D6ALDH1A1RAB9A |
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-1993020099-A2 | CCK AND/OR GASTRIN RECEPTOR LIGANDS | FERRING B.V. (NL) | 1993-10-14 | — | — | WO | disclosed |