Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 4/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 4/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL10169593 | 1.00 | CYP2D6 (0.46) | CYP2D6TAAR1POLBLMNARECQL | |
| SCHEMBL12846428 | 1.00 | CYP2D6 (0.46) | CYP2D6TAAR1POLBLMNARECQL | |
| SCHEMBL22240503 | 0.80 | TAAR1 (0.38) | CYP2D6TAAR1POLBLMNARECQL | |
| SCHEMBL6871392 | 0.77 | CYP2D6 (0.50) | CYP2D6TAAR1POLBLMNARECQL | |
| SCHEMBL13039964 | 0.77 | CYP2D6 (0.50) | CYP2D6TAAR1POLBLMNARECQL | |
| SCHEMBL6725960 | 0.75 | CYP2D6 (0.49) | CYP2D6TAAR1POLBLMNARECQL | |
| SCHEMBL1044302 | 0.75 | CYP2D6 (0.49) | CYP2D6TAAR1POLBLMNARECQL | |
| SCHEMBL13823414 | 0.74 | SMN1; SMN2 (0.37) | CYP2D6TAAR1POLBLMNARECQL | |
| SCHEMBL17339199 | 0.72 | CYP2D6 (0.46) | CYP2D6TAAR1POLBLMNARECQL | |
| SCHEMBL6719047 | 0.72 | CYP2D6 (0.46) | CYP2D6TAAR1POLBLMNARECQL |
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-2173714-B9 | PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | BRISTOL MYERS SQUIBB CO (US) | 2013-04-10 | — | — | EP | disclosed |