Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 6/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | SLC6A12 | P48065 | 1/20 | 0.36 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.36 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | DRD4 | P21917 | 1/20 | 0.36 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.36 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7972859 | 0.69 | HSD11B1 (0.49) | HSD11B1CYP2D6 | |
| SCHEMBL2218785 | 0.69 | HTT (0.51) | CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7972582 | 0.67 | MAPT (0.43) | ALDH1A1CYP2D6NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL7972577 | 0.62 | CYP2D6 (0.59) | HSD11B1POLBCYP2D6CYP2C9CYP2C19 | |
| SCHEMBL2400667 | 0.62 | HTT (0.53) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL27695426 | 0.62 | HTT (0.53) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL9185373 | 0.62 | CYP2D6 (0.62) | HSD11B1ALDH1A1CYP2D6 | |
| SCHEMBL28006890 | 0.61 | NPC1 (0.66) | POLBALDH1A1CYP2C9NPC1RAB9A | |
| SCHEMBL8419841 | 0.61 | CYP2D6 (0.47) | HSD11B1POLBALDH1A1CYP2D6CYP1A2 | |
| SCHEMBL28694284 | 0.60 | KDM4E (0.47) | NPC1 |
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-0968201-A2 | NEW AMINOPIPERAZINE DERIVATIVES | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2000-01-05 | — | — | EP | disclosed |
| WO-1998035951-A2 | NEW AMINOPIPERAZINE DERIVATIVES | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1998-08-20 | — | — | WO | disclosed |