Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.50 |
| ▸ | NPC1 | O15118 | 8/20 | 0.50 |
| ▸ | RAB9A | P51151 | 8/20 | 0.50 |
| ▸ | HTT | P42858 | 5/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
| ▸ | PAX8 | Q06710 | 4/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | MITF | O75030 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | JAK2 | O60674 | 2/20 | 0.36 |
| ▸ | S1PR4 | O95977 | 2/20 | 0.34 |
| ▸ | S1PR1 | P21453 | 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 | |
|---|---|---|---|---|
| SCHEMBL7350057 | 0.84 | ALDH1A1 (0.56) | ALDH1A1NPC1RAB9AHTTNPSR1 | |
| SCHEMBL7342419 | 0.83 | ALDH1A1 (0.46) | ALDH1A1NPC1RAB9AHTTNPSR1 | |
| SCHEMBL7348481 | 0.79 | NPC1 (0.46) | ALDH1A1NPC1RAB9AHTTNPSR1 | |
| SCHEMBL2345303 | 0.71 | ALDH1A1 (1.00) | ALDH1A1NPC1RAB9AHTTNPSR1 | |
| SCHEMBL14875602 | 0.70 | EGLN1 (0.49) | — | |
| SCHEMBL7614040 | 0.69 | NPC1 (0.42) | ALDH1A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL7341097 | 0.69 | KDM4E (0.50) | ALDH1A1NPC1RAB9AKMT2AMAPT | |
| SCHEMBL28659671 | 0.68 | KMT2A (0.46) | ALDH1A1NPC1RAB9AHTTNPSR1 | |
| SCHEMBL7339289 | 0.68 | RAB9A (0.79) | ALDH1A1NPC1RAB9AHTTNPSR1 | |
| SCHEMBL7348754 | 0.68 | ALDH1A1 (0.56) | ALDH1A1NPC1RAB9AHTTNPSR1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0658157-A1 | DIARYL PIPERAZINOACETAMIDE COMPOUNDS AS ANTIMUSCARINIC AGENTS | MERRELL PHARMACEUTICALS INC. (US) | 1995-06-21 | — | — | EP | disclosed |
| WO-1994005648-A1 | DIARYL PIPERAZINOACETAMIDE COMPOUNDS AS ANTIMUSCARINIC AGENTS | MERRELL DOW PHARMACEUTICALS INC. (US) | 1994-03-17 | — | — | WO | disclosed |
| EP-0585500-A1 | Diaryl piperazineacetamides as antimuscarinic agents | MERRELL DOW PHARMACEUTICALS INC. (US) | 1994-03-09 | — | — | EP | disclosed |