Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | PARP1 | P09874 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | BRD4 | O60885 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | OXTR | P30559 | 1/20 | 0.37 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.37 |
| ▸ | GLA | P06280 | 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 | |
|---|---|---|---|---|
| SCHEMBL5134327 | 0.93 | ALDH1A1 (0.45) | ALDH1A1SMN1; SMN2HTTPARP1RAB9A | |
| SCHEMBL5135118 | 0.82 | PARP2 (0.42) | SMN1; SMN2PARP1KDM4EKMT2AOPRK1 | |
| SCHEMBL5135112 | 0.75 | PARP2 (0.42) | SMN1; SMN2PARP1KDM4EKMT2AOPRK1 | |
| SCHEMBL5134331 | 0.72 | RAB9A (0.39) | ALDH1A1SMN1; SMN2HTTRAB9AKDM4E | |
| SCHEMBL29974726 | 0.69 | OPRM1 (0.39) | ALDH1A1SMN1; SMN2HTTPARP1RAB9A | |
| SCHEMBL11471888 | 0.69 | SIGMAR1 (0.48) | ALDH1A1SMN1; SMN2HTTRAB9ACYP1A2 | |
| Oxalic Acid SCHEMBL11478570 | 0.68 | SIGMAR1 (0.46) | ALDH1A1SMN1; SMN2RAB9ACYP1A2KDM4E | |
| SCHEMBL18284773 | 0.67 | SLC18A3 (0.55) | CYP1A2KDM4EKMT2AMEN1SIGMAR1 | |
| SCHEMBL27503322 | 0.67 | CTNNB1 (0.62) | SMN1; SMN2KDM4EBRD4 | |
| SCHEMBL5146830 | 0.66 | ALDH1A1 (0.40) | ALDH1A1SMN1; SMN2HTTPARP1KDM4E |
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 |