Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 5/20 | 0.48 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.45 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.44 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | F2 | P00734 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL15043866 | 0.95 | GABRB2 (0.45) | ABCB1MAPTALDH1A3SMN1; SMN2GABRB2 | |
| SCHEMBL15034001 | 0.90 | MAPT (0.51) | ABCB1MAPTALDH1A3SMN1; SMN2GABRB2 | |
| SCHEMBL15046476 | 0.87 | MAPT (0.52) | MAPTSMN1; SMN2GABRB2GABRA2RAB9A | |
| SCHEMBL15046477 | 0.86 | GRM5 (0.43) | ABCB1MAPTGABRB2GABRA2PTGS1 | |
| SCHEMBL15033936 | 0.86 | GABRA2 (0.52) | ABCB1MAPTALDH1A3SMN1; SMN2GABRB2 | |
| SCHEMBL15033978 | 0.83 | GABRA2 (0.43) | MAPTSMN1; SMN2GABRB2GABRA2TP53 | |
| SCHEMBL15046461 | 0.82 | GABRA2 (0.42) | MAPTSMN1; SMN2GABRB2GABRA2TP53 | |
| SCHEMBL15019885 | 0.82 | GABRA2 (0.42) | MAPTSMN1; SMN2GABRB2GABRA2TP53 | |
| SCHEMBL15020142 | 0.81 | GABRA2 (0.55) | MAPTSMN1; SMN2GABRB2GABRA2TP53 | |
| Lithium Ion SCHEMBL15019886 | 0.81 | GABRB2 (0.41) | ABCB1MAPTSMN1; SMN2GABRB2GABRA2 |
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-2013087806-A1 | PIPERAZINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLU5 RECEPTORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-06-20 | — | — | WO | disclosed |