Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.68 |
| ▸ | BCHE | P06276 | 3/20 | 0.62 |
| ▸ | ACHE | P22303 | 2/20 | 0.62 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | RAB9A | P51151 | 3/20 | 0.56 |
| ▸ | NPC1 | O15118 | 2/20 | 0.56 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.55 |
| ▸ | GAA | P10253 | 2/20 | 0.55 |
| ▸ | MAPT | P10636 | 2/20 | 0.55 |
| ▸ | HTT | P42858 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.55 |
| ▸ | RAD51 | Q06609 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 3/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | TP53 | P04637 | 1/20 | 0.54 |
| ▸ | FAAH | O00519 | 2/20 | 0.53 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.53 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL3984117 | 0.90 | CYP1A2 (0.66) | KMT2ABCHEACHECYP1A2RAB9A | |
| SCHEMBL12655119 | 0.88 | KMT2A (0.78) | KMT2ABCHEACHECYP1A2RAB9A | |
| SCHEMBL29738320 | 0.83 | TAAR1 (0.64) | KMT2ACYP1A2ALDH1A1MEN1LMNA | |
| Phenyl Phenylcarbamate SCHEMBL272994 | 0.82 | ALDH1A1 (0.76) | KMT2ABCHEACHECYP1A2RAB9A | |
| SCHEMBL3302167 | 0.82 | KMT2A (0.69) | KMT2ABCHEACHECYP1A2RAB9A | |
| SCHEMBL31061553 | 0.82 | KMT2A (0.69) | KMT2ABCHEACHECYP1A2ALDH1A1 | |
| SCHEMBL28395058 | 0.81 | ALDH1A1 (0.70) | KMT2ABCHEACHECYP1A2RAB9A | |
| Phenyl 4-Fluorophenylcarbamate SCHEMBL1892132 | 0.81 | ALDH1A1 (0.70) | KMT2ARAB9ANPC1NPSR1ALDH1A1 | |
| SCHEMBL8048626 | 0.81 | CYP1A2 (0.76) | KMT2ABCHEACHECYP1A2RAB9A | |
| SCHEMBL18677661 | 0.81 | ALDH1A1 (0.68) | KMT2ABCHEACHECYP1A2RAB9A |
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-112759545-B | 3- (dimethylamino methyl) piperidine-4-alcohol derivative and preparation method and pharmaceutical application thereof | 复旦大学 | 2022-12-13 | — | — | CN | disclosed |
| CN-112759545-A | 3- (dimethylamino methyl) piperidine-4-alcohol derivative and preparation method and pharmaceutical application thereof | 复旦大学 | 2021-05-07 | — | — | CN | disclosed |