Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.40 |
| ▸ | SLC9A1 | P19634 | 4/20 | 0.37 |
| ▸ | PARP1 | P09874 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.35 |
| ▸ | IKBKB | O14920 | 2/20 | 0.34 |
| ▸ | CHUK | O15111 | 2/20 | 0.34 |
| ▸ | P2RY1 | P47900 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | USP2 | O75604 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | BTK | Q06187 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5140428 | 0.81 | THRB (0.39) | PARP1KCNH2 | |
| SCHEMBL5146830 | 0.74 | ALDH1A1 (0.40) | SLC9A1PARP1KCNH2KMT2AKDM4E | |
| SCHEMBL5531782 | 0.71 | KDM4E (0.42) | PARP2SLC9A1PARP1KCNH2IKBKB | |
| SCHEMBL5527850 | 0.69 | KDM4E (0.42) | SLC9A1PARP1KCNH2IKBKBKMT2A | |
| SCHEMBL5135112 | 0.67 | PARP2 (0.42) | PARP2PARP1TSHRKCNH2CYP3A4 | |
| SCHEMBL6921914 | 0.65 | KDM4E (0.43) | KMT2AMEN1KDM4EBTK | |
| SCHEMBL2784695 | 0.65 | RBP4 (0.43) | SLC9A1KCNH2P2RY1KMT2AKDM4E | |
| SCHEMBL25386722 | 0.64 | SCN10A (0.36) | SLC9A1KCNH2 | |
| SCHEMBL5135118 | 0.64 | PARP2 (0.42) | PARP2PARP1TSHRCYP3A4KMT2A | |
| SCHEMBL4972535 | 0.64 | PARP2 (0.53) | PARP2PARP1 |
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-1942893-A2 | PIPERIDINE GLYCINE TRANSPORTER INHIBITORS | Merck & Co., Inc. (US) | 2008-07-16 | — | — | EP | disclosed |
| WO-2007053400-A2 | PIPERIDINE GLYCINE TRANSPORTER INHIBITORS | MERCK & CO., INC. (US) | 2007-05-10 | — | — | WO | disclosed |