Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | DHFR | P00374 | 1/20 | 0.43 |
| ▸ | BRD4 | O60885 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | KDM5B | Q9UGL1 | 2/20 | 0.40 |
| ▸ | PSD | A5PKW4 | 1/20 | 0.39 |
| ▸ | KDM4A | O75164 | 1/20 | 0.39 |
| ▸ | KDM5A | P29375 | 1/20 | 0.39 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.39 |
| ▸ | LDHA | P00338 | 1/20 | 0.38 |
| ▸ | TYMP | P19971 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2637972 | 0.78 | MEN1 (0.41) | NPC1RAB9AMEN1KMT2ADHFR | |
| SCHEMBL2637509 | 0.77 | HSP90AA1 (0.44) | NPC1RAB9AMEN1KMT2ABRD4 | |
| SCHEMBL2637795 | 0.76 | MEN1 (0.44) | NPC1RAB9AMEN1KMT2ADHFR | |
| SCHEMBL2637207 | 0.75 | CNR2 (0.45) | NPC1RAB9AMEN1KMT2AALDH1A1 | |
| SCHEMBL2637478 | 0.75 | HSP90AA1 (0.47) | NPC1RAB9AMEN1KMT2AALDH1A1 | |
| SCHEMBL2637603 | 0.75 | ALOX5 (0.48) | NPC1RAB9AMEN1KMT2AALDH1A1 | |
| SCHEMBL2637716 | 0.74 | KMT2A (0.47) | NPC1RAB9AMEN1KMT2AKDM4E | |
| SCHEMBL2637501 | 0.74 | NUDT1 (0.44) | NPC1RAB9AMEN1KMT2AHPGD | |
| SCHEMBL2637663 | 0.73 | PGR (0.42) | NPC1RAB9AMEN1KMT2AKDM4E | |
| SCHEMBL2637666 | 0.73 | POLB (0.43) | NPC1RAB9AMEN1KMT2AHPGD |
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-2438070-A1 | GLYCINE B ANTAGONISTS | Merz Pharma GmbH & Co. KGaA (DE) | 2012-04-11 | — | — | EP | disclosed |
| WO-2010139483-A1 | GLYCINE B ANTAGONISTS | MERZ PHARMA GMBH & CO. KGAA (DE) | 2010-12-09 | — | — | WO | disclosed |