Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | HTT | P42858 | 3/20 | 0.38 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | OXTR | P30559 | 2/20 | 0.35 |
| ▸ | AVPR1A | P37288 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 4/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | IRAK4 | Q9NWZ3 | 3/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 2/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5135120 | 0.82 | SLC6A2 (0.38) | BRD4IRAK4HTR1ASLC6A2SLC6A4 | |
| SCHEMBL5134330 | 0.72 | ALDH1A1 (0.45) | RAB9AALDH1A1SMN1; SMN2HTTBRD4 | |
| SCHEMBL5134327 | 0.70 | ALDH1A1 (0.45) | RAB9AALDH1A1SMN1; SMN2HTTBRD4 | |
| SCHEMBL5134328 | 0.70 | SLC6A2 (0.48) | RAB9AALDH1A1SMN1; SMN2HTTOXTR | |
| SCHEMBL3330917 | 0.68 | PARP1 (0.50) | RAB9AALDH1A1SMN1; SMN2HTTHPGD | |
| SCHEMBL30937791 | 0.68 | PARP1 (0.50) | RAB9AALDH1A1SMN1; SMN2HTTHPGD | |
| SCHEMBL5190879 | 0.66 | IRAK4 (0.36) | RAB9AIRAK4MAPK1 | |
| SCHEMBL5134124 | 0.66 | KMT2A (0.34) | RAB9AALDH1A1HPGDKMT2AKDM4E | |
| SCHEMBL30839564 | 0.65 | PARP1 (0.46) | ALDH1A1SMN1; SMN2HTTHPGDKDM4E | |
| SCHEMBL5134806 | 0.64 | PARP2 (0.39) | — |
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 |