Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.64 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.64 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.59 |
| ▸ | LMNA | P02545 | 2/20 | 0.59 |
| ▸ | MAPT | P10636 | 2/20 | 0.59 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.59 |
| ▸ | MGLL | Q99685 | 2/20 | 0.57 |
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | GALR3 | O60755 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | FAAH | O00519 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL28378393 | 0.90 | ALDH1A1 (0.64) | ALDH1A1KDM4ESMN1; SMN2LMNAMAPT | |
| SCHEMBL4515666 | 0.86 | ALDH1A1 (0.62) | ALDH1A1KDM4ESMN1; SMN2LMNANPC1 | |
| SCHEMBL28377875 | 0.84 | TP53 (0.61) | ALDH1A1KDM4ESMN1; SMN2LMNAFAAH | |
| SCHEMBL28373339 | 0.83 | LMNA (0.61) | ALDH1A1KDM4ESMN1; SMN2LMNAFAAH | |
| SCHEMBL28377910 | 0.83 | — | — | |
| SCHEMBL28374054 | 0.81 | KDM4E (0.55) | ALDH1A1KDM4ESMN1; SMN2LMNAPOLB | |
| SCHEMBL28375732 | 0.80 | FAAH (0.58) | ALDH1A1KDM4ESMN1; SMN2LMNAFAAH | |
| SCHEMBL28885931 | 0.80 | SIGMAR1 (0.68) | ALDH1A1KDM4EFAAH | |
| SCHEMBL28377450 | 0.80 | ALDH1A1 (0.64) | ALDH1A1KDM4ESMN1; SMN2LMNAFAAH | |
| SCHEMBL5626457 | 0.79 | ALDH1A1 (0.74) | ALDH1A1KDM4ESMN1; SMN2LMNAMAPT |
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-110615774-B | Benzyl piperazine compound with anti-inflammatory activity, preparation method and medical application | 安徽中医药大学 | 2022-11-11 | — | — | CN | disclosed |
| CN-110615774-A | Benzyl piperazine compound with anti-inflammatory activity, preparation method and medical application | 安徽中医药大学 | 2019-12-27 | — | — | CN | disclosed |