Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | ABL1 | P00519 | 1/20 | 0.40 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.40 |
| ▸ | MC4R | P32245 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | MMP2 | P08253 | 2/20 | 0.38 |
| ▸ | MMP9 | P14780 | 2/20 | 0.38 |
| ▸ | MMP8 | P22894 | 2/20 | 0.38 |
| ▸ | MMP13 | P45452 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3134881 | 0.75 | SIGMAR1 (0.56) | SIGMAR1CYP2D6TSHRCYP3A4MEN1 | |
| SCHEMBL24801949 | 0.74 | SIGMAR1 (0.51) | SIGMAR1CYP2D6TSHRCYP3A4MEN1 | |
| SCHEMBL29156328 | 0.74 | SIGMAR1 (0.51) | SIGMAR1CYP2D6TSHRCYP3A4MEN1 | |
| SCHEMBL24801905 | 0.74 | SIGMAR1 (0.51) | SIGMAR1CYP2D6TSHRCYP3A4MEN1 | |
| SCHEMBL336225 | 0.72 | SIGMAR1 (0.56) | SIGMAR1CYP2D6TSHRCYP3A4MEN1 | |
| SCHEMBL24802000 | 0.71 | SIGMAR1 (0.47) | SIGMAR1CYP2D6TSHRCYP3A4MEN1 | |
| SCHEMBL9058106 | 0.70 | OPRL1 (0.59) | SIGMAR1CYP2D6TSHRCYP3A4MEN1 | |
| SCHEMBL30761091 | 0.70 | SIGMAR1 (0.46) | SIGMAR1CYP2D6TSHRCYP3A4MEN1 | |
| SCHEMBL7234990 | 0.70 | ABL1 (0.52) | CYP2D6MEN1ALDH1A1KMT2AABL1 | |
| SCHEMBL11198892 | 0.70 | NR5A2 (0.46) | ABL1RIN1GAA |
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-1960391-A1 | PIPERAZINE DERIVATIVES AND THEIR USE IN THERAPY | Vernalis (R&D) Limited (GB) | 2008-08-27 | — | — | EP | disclosed |
| WO-2007057687-A1 | PIPERAZINE DERIVATIVES AND THEIR USE IN THERAPY | VERNALIS (R & D) LIMITED (GB) | 2007-05-24 | — | — | WO | disclosed |