Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.58 |
| ▸ | NPC1 | O15118 | 5/20 | 0.58 |
| ▸ | RAB9A | P51151 | 5/20 | 0.58 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.58 |
| ▸ | HTT | P42858 | 2/20 | 0.58 |
| ▸ | POLB | P06746 | 1/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | CACNA2D1 | P54289 | 6/20 | 0.41 |
| ▸ | CACNA1B | Q00975 | 6/20 | 0.41 |
| ▸ | CACNB1 | Q02641 | 6/20 | 0.41 |
| ▸ | CACNA1C | Q13936 | 6/20 | 0.41 |
| ▸ | PAX8 | Q06710 | 3/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | MITF | O75030 | 2/20 | 0.38 |
| ▸ | ATM | Q13315 | 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 | |
|---|---|---|---|---|
| SCHEMBL2003322 | 0.77 | ALDH1A1 (0.63) | ALDH1A1NPC1RAB9ANPSR1KMT2A | |
| SCHEMBL2345303 | 0.74 | ALDH1A1 (1.00) | ALDH1A1NPC1RAB9ANPSR1KMT2A | |
| SCHEMBL7980291 | 0.73 | ALDH1A1 (0.62) | ALDH1A1NPC1RAB9ANPSR1KMT2A | |
| SCHEMBL19963117 | 0.72 | ALDH1A1 (0.61) | ALDH1A1NPC1RAB9ANPSR1KMT2A | |
| SCHEMBL10521343 | 0.72 | ALDH1A1 (0.65) | ALDH1A1NPC1RAB9ANPSR1KMT2A | |
| SCHEMBL5250483 | 0.71 | ALDH1A1 (0.70) | ALDH1A1NPC1RAB9ANPSR1KMT2A | |
| SCHEMBL30966332 | 0.69 | ALDH1A1 (0.68) | ALDH1A1NPC1RAB9ANPSR1KMT2A | |
| SCHEMBL27675321 | 0.69 | ALDH1A1 (0.56) | ALDH1A1NPC1RAB9ANPSR1KMT2A | |
| SCHEMBL9872306 | 0.68 | ALDH1A1 (0.66) | ALDH1A1NPC1RAB9ANPSR1KMT2A | |
| SCHEMBL22170060 | 0.68 | ALDH1A1 (0.65) | ALDH1A1NPC1RAB9ANPSR1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-1085661-C | Piperidine derivatives as neurokinin antagonists | SCHERING CORP (US) | 2002-05-29 | — | — | CN | disclosed |
| CN-1161033-A | Piperidine derivatives as neurokinin antagonists | SCHERING CORP (US) | 1997-10-01 | — | — | CN | disclosed |