Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | DRD2 | P14416 | 4/20 | 0.45 |
| ▸ | DRD3 | P35462 | 4/20 | 0.45 |
| ▸ | DRD4 | P21917 | 2/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | FAAH | O00519 | 1/20 | 0.40 |
| ▸ | PARP1 | P09874 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2446291 | 0.92 | DRD2 (0.51) | CYP3A4CYP2D6TSHRNPC1TP53 | |
| SCHEMBL5604920 | 0.79 | SLC6A4 (0.64) | CYP3A4CYP2D6TSHRSIGMAR1L3MBTL1 | |
| SCHEMBL5595495 | 0.76 | CYP3A4 (0.55) | CYP3A4CYP2D6TSHRSMN1; SMN2SIGMAR1 | |
| SCHEMBL5595644 | 0.73 | CYP3A4 (0.57) | CYP3A4CYP2D6TSHRSIGMAR1L3MBTL1 | |
| SCHEMBL9080133 | 0.72 | ALDH1A1 (0.50) | CYP3A4TSHRNPC1TP53MAPK1 | |
| SCHEMBL5595494 | 0.72 | KDM4E (0.58) | TP53KDM4E | |
| SCHEMBL13973037 | 0.71 | TSHR (0.52) | CYP3A4CYP2D6TSHRNPC1TP53 | |
| SCHEMBL26099817 | 0.71 | CA12 (0.55) | CYP2D6TSHRDRD2DRD3KDM4E | |
| SCHEMBL5595516 | 0.70 | CHRM2 (0.57) | CYP3A4CYP2D6DRD2DRD3SIGMAR1 | |
| SCHEMBL9048454 | 0.70 | DPP7 (0.73) | CYP3A4CYP2D6TSHRSIGMAR1L3MBTL1 |
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-1809288-A1 | USE OF 1,4-BIS (3-AMINOALKYL) PIPERAZINE DERIVATIVES IN THE TREATMENT OF NEURODEGENERATIVE DISEASES | INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) | 2007-07-25 | — | — | EP | disclosed |
| WO-2006051489-A1 | USE OF 1,4-BIS (3-AMINOALKYL) PIPERAZINE DERIVATIVES IN THE TREATMENT OF NEURODEGENERATIVE DISEASES | INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) | 2006-05-18 | — | — | WO | disclosed |