Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 6/20 | 0.48 |
| ▸ | SLC6A4 | P31645 | 6/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | OXTR | P30559 | 2/20 | 0.40 |
| ▸ | AVPR1A | P37288 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5135114 | 0.81 | SLC6A2 (0.53) | SLC6A2SLC6A4KCNH2SLC6A3CYP2D6 | |
| SCHEMBL8738173 | 0.73 | SLC6A4 (0.59) | SLC6A2SLC6A4KCNH2RAB9AMEN1 | |
| SCHEMBL5146827 | 0.71 | CNR2 (0.41) | SLC6A2SLC6A4HPGDSLC6A3CYP2D6 | |
| SCHEMBL5134331 | 0.70 | RAB9A (0.39) | SLC6A2SLC6A4RAB9AMEN1KMT2A | |
| SCHEMBL5134122 | 0.69 | PARP1 (0.41) | KCNH2KMT2ALMNASMN1; SMN2OXTR | |
| Trifluoroacetic Acid SCHEMBL6119832 | 0.68 | SLC6A4 (0.53) | SLC6A2SLC6A4KCNH2MEN1KMT2A | |
| SCHEMBL28093969 | 0.67 | ALOX5 (0.45) | RAB9A | |
| SCHEMBL5136170 | 0.66 | SLC6A4 (0.44) | SLC6A2SLC6A4KCNH2RAB9AHPGD | |
| SCHEMBL4109434 | 0.65 | SLC6A4 (1.00) | SLC6A2SLC6A4KCNH2LMNASLC6A3 | |
| SCHEMBL4651364 | 0.65 | CACNA1B (0.47) | SLC6A2SLC6A4KCNH2MEN1KMT2A |
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 |