Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 5/20 | 0.37 |
| ▸ | RAB9A | P51151 | 3/20 | 0.37 |
| ▸ | HTR1A | P08908 | 3/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | MTOR | P42345 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 4/20 | 0.33 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.33 |
| ▸ | HTR7 | P34969 | 2/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4220008 | 0.86 | ALDH1A1 (0.40) | KMT2ANPSR1MAPTALDH1A1TSHR | |
| SCHEMBL4037792 | 0.75 | ALDH1A1 (0.37) | DRD2HTR1ACYP2C19KMT2AMEN1 | |
| SCHEMBL4038524 | 0.71 | MMP2 (0.34) | — | |
| SCHEMBL6190430 | 0.66 | MEN1 (0.42) | CYP3A4CYP2C19KMT2ANPSR1MEN1 | |
| SCHEMBL4217064 | 0.65 | FABP1 (0.42) | NPSR1MAPTALDH1A1TSHRUSP2 | |
| SCHEMBL4223317 | 0.62 | DRD2 (0.36) | DRD2HTR1ACYP3A4ALDH1A1DRD3 | |
| SCHEMBL4036984 | 0.61 | ALDH1A1 (0.47) | KMT2AALDH1A1USP2 | |
| SCHEMBL6190434 | 0.61 | GAA (0.48) | KMT2ANPSR1MEN1ALDH1A1TSHR | |
| SCHEMBL8163062 | 0.60 | ALDH1A1 (0.52) | HTR1ANPSR1MAPTALDH1A1TSHR | |
| SCHEMBL4035867 | 0.60 | CA1 (0.46) | CYP3A4CYP2C19CYP2C9TSHR |
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-1592389-B1 | PIPERAZINE-2-CARBOXAMIDE DERIVATIVES | SERONO LAB (CH) | 2009-04-22 | — | — | EP | claimed |