Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 9/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.48 |
| ▸ | BCHE | P06276 | 3/20 | 0.48 |
| ▸ | ACHE | P22303 | 3/20 | 0.48 |
| ▸ | HIF1AN | Q9NWT6 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL996164 | 1.00 | MAOB (0.56) | MAOBCYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL997477 | 0.90 | MAOB (0.56) | MAOBHRH3BCHEACHEHIF1AN | |
| SCHEMBL997479 | 0.90 | MAOB (0.56) | MAOBHRH3BCHEACHEHIF1AN | |
| SCHEMBL998730 | 0.90 | MAPT (0.59) | MAOBCYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL998727 | 0.90 | MAPT (0.59) | MAOBCYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL997108 | 0.89 | MAPT (0.60) | MAOBCYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL997110 | 0.89 | MAPT (0.60) | MAOBCYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL998223 | 0.84 | HIF1AN (0.54) | MAOBCYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL998221 | 0.84 | HIF1AN (0.54) | MAOBCYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL996372 | 0.83 | ACHE (0.52) | MAOBBCHEACHEHIF1ANKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011009826-A2 | NOVEL CHALCONE DERIVATIVES WITH CYTOTOXIC ACTIVITY | ADAMED Sp.z o.o. (PL) | 2011-01-27 | — | — | WO | claimed |
| WO-2011009826-A2 | NOVEL CHALCONE DERIVATIVES WITH CYTOTOXIC ACTIVITY | ADAMED Sp.z o.o. (PL) | 2011-01-27 | — | — | WO | disclosed |