Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 5/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.50 |
| ▸ | NPC1 | O15118 | 4/20 | 0.50 |
| ▸ | LMNA | P02545 | 3/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.50 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.46 |
| ▸ | CASP3 | P42574 | 1/20 | 0.46 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.46 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.46 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | ALDH1A3 | P47895 | 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 | |
|---|---|---|---|---|
| SCHEMBL15033985 | 0.90 | SMN1; SMN2 (0.52) | RAB9ASMN1; SMN2NPC1LMNAMAPT | |
| SCHEMBL15046475 | 0.89 | RAB9A (0.51) | MEN1RAB9ASMN1; SMN2NPC1LMNA | |
| SCHEMBL15046452 | 0.88 | MAPT (0.52) | MEN1RAB9ASMN1; SMN2NPC1LMNA | |
| SCHEMBL15033984 | 0.85 | GABRA2 (0.58) | RAB9ASMN1; SMN2NPC1LMNAMAPT | |
| SCHEMBL15033980 | 0.80 | MAPT (0.52) | MEN1RAB9ASMN1; SMN2NPC1LMNA | |
| SCHEMBL15046450 | 0.78 | ALDH1A1 (0.55) | MEN1RAB9ASMN1; SMN2NPC1LMNA | |
| SCHEMBL15046453 | 0.78 | ALDH1A3 (0.49) | RAB9ASMN1; SMN2LMNAMAPTALDH1A1 | |
| SCHEMBL15034550 | 0.78 | RAB9A (0.54) | RAB9ASMN1; SMN2NPC1LMNAMAPT | |
| SCHEMBL15046476 | 0.78 | MAPT (0.52) | MEN1RAB9ASMN1; SMN2NPC1LMNA | |
| SCHEMBL15046461 | 0.77 | GABRA2 (0.42) | RAB9ASMN1; SMN2LMNAMAPTGABRA2 |
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 |