Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 10/20 | 0.50 |
| ▸ | MAOA | P21397 | 5/20 | 0.50 |
| ▸ | MAPT | P10636 | 3/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | BCHE | P06276 | 1/20 | 0.46 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | RAF1 | P04049 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL28347942 | 0.85 | MAOB (0.49) | MAOBMAOAMAPTCYP1A2CYP1B1 | |
| SCHEMBL28404528 | 0.85 | TNFRSF1A (0.53) | MAOBMAOAMAPTCYP1B1ALDH1A1 | |
| SCHEMBL28413016 | 0.85 | MAOB (0.49) | MAOBMAOAMAPTCYP1A2CYP1B1 | |
| SCHEMBL28247193 | 0.85 | MAPT (0.54) | MAOBMAOAMAPTCYP1A2BCHE | |
| SCHEMBL28351393 | 0.85 | MAPT (0.54) | MAOBMAOAMAPTCYP1A2BCHE | |
| SCHEMBL20746571 | 0.84 | NPC1 (0.50) | MAPTMEN1ALDH1A1TP53MAPK1 | |
| SCHEMBL20746570 | 0.84 | NPC1 (0.50) | MAPTMEN1ALDH1A1TP53MAPK1 | |
| SCHEMBL28351459 | 0.83 | CYP2D6 (0.58) | MAOBMAOAMAPTCYP1A2BCHE | |
| SCHEMBL28404409 | 0.83 | CYP2D6 (0.58) | MAOBMAOAMAPTCYP1A2BCHE | |
| SCHEMBL28404803 | 0.82 | MAPT (0.52) | MAOBMAOAMAPTGAAALDH1A1 |
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-111233843-B | Gamma-butenolide derivative and preparation method and application thereof | 中山大学 | 2021-07-02 | — | — | CN | disclosed |
| CN-111233843-A | Gamma-butenolide derivative and preparation method and application thereof | 中山大学 | 2020-06-05 | — | — | CN | disclosed |