Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 1/20 | 0.45 |
| ▸ | ACKR3 | P25106 | 3/20 | 0.44 |
| ▸ | EPHX2 | P34913 | 8/20 | 0.44 |
| ▸ | CCR5 | P51681 | 2/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.43 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.43 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7049859 | 0.84 | PDK2 (0.46) | PDK2ACKR3EPHX2CCR5CHRM2 | |
| SCHEMBL7616678 | 0.81 | ALDH1A1 (0.43) | EPHX2CHRM2CHRM4CHRM1CHRM3 | |
| SCHEMBL6772687 | 0.74 | MTTP (0.55) | PDK2CHRM2CHRM1 | |
| SCHEMBL829637 | 0.73 | ALDH1A1 (0.57) | — | |
| SCHEMBL29944565 | 0.73 | ALDH1A1 (0.57) | — | |
| SCHEMBL29391217 | 0.73 | DRD2 (0.56) | — | |
| SCHEMBL17844904 | 0.73 | DRD2 (0.56) | — | |
| SCHEMBL29263692 | 0.72 | MAOB (0.57) | — | |
| SCHEMBL12263981 | 0.72 | MAOB (0.57) | — | |
| SCHEMBL7611938 | 0.71 | SIGMAR1 (0.46) | SIGMAR1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1259492-A1 | SUBSTITUTED PIPERAZINE DERIVATIVES AS MTP INHIBITORS | Boehringer Ingelheim Pharma KG (DE) | 2002-11-27 | — | — | EP | disclosed |
| WO-2001047899-A1 | SUBSTITUTED PIPERAZINE DERIVATIVES AS MTP INHIBITORS | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2001-07-05 | — | — | WO | disclosed |