Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.58 |
| ▸ | MAPT | P10636 | 1/20 | 0.57 |
| ▸ | POLB | P06746 | 3/20 | 0.56 |
| ▸ | LMNA | P02545 | 3/20 | 0.56 |
| ▸ | GAA | P10253 | 2/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 3/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.54 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.54 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.54 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL8353686 | 0.91 | ALDH1A1 (0.56) | ALDH1A1KDM4EPOLBLMNAGAA | |
| SCHEMBL8350094 | 0.87 | POLB (0.59) | ALDH1A1MAPTPOLBLMNAGAA | |
| SCHEMBL8351069 | 0.87 | ALDH1A1 (0.58) | ALDH1A1KDM4EMAPTLMNAGAA | |
| SCHEMBL8350476 | 0.83 | ALDH1A1 (0.63) | ALDH1A1MAPTPOLBLMNAGAA | |
| SCHEMBL8350643 | 0.82 | MAPT (0.50) | ALDH1A1KDM4EMAPTPOLBLMNA | |
| SCHEMBL8353674 | 0.81 | MAPT (0.61) | ALDH1A1KDM4EMAPTPOLBLMNA | |
| SCHEMBL8350533 | 0.81 | POLB (0.57) | ALDH1A1MAPTPOLBLMNAGAA | |
| SCHEMBL8350048 | 0.81 | SMN1; SMN2 (0.59) | ALDH1A1KDM4EMAPTPOLBLMNA | |
| SCHEMBL8353740 | 0.81 | ALDH1A1 (0.53) | ALDH1A1MAPTPOLBLMNAGAA | |
| SCHEMBL8351239 | 0.81 | MAPK1 (0.63) | ALDH1A1MAPTLMNATSHRMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1999031096-A1 | PIPERAZINE DERIVATIVES USEFUL AS HYPOGLYCEMIC AGENTS | SHAMAN PHARMACEUTICALS, INC. (US) | 1999-06-24 | — | — | WO | claimed |
| WO-1999031096-A1 | PIPERAZINE DERIVATIVES USEFUL AS HYPOGLYCEMIC AGENTS | SHAMAN PHARMACEUTICALS, INC. (US) | 1999-06-24 | — | — | WO | disclosed |