Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.50 |
| ▸ | FBP1 | P09467 | 2/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | MAOB | P27338 | 4/20 | 0.49 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL27507474 | 1.00 | CYP1A2 (0.51) | CYP1A2CYP2C9KDM4EKMT2AALDH1A1 | |
| SCHEMBL11246694 | 0.81 | CYP1A2 (0.55) | CYP1A2CYP2C9KDM4EKMT2AALDH1A1 | |
| SCHEMBL28687634 | 0.79 | APP (0.43) | KDM4EKMT2AALDH1A1MEN1AKR1C3 | |
| SCHEMBL28501230 | 0.79 | ALDH1A1 (0.50) | KDM4EKMT2AALDH1A1LMNAMAPT | |
| SCHEMBL2500244 | 0.79 | AKR1C3 (0.63) | CYP1A2CYP2C9KDM4EKMT2AALDH1A1 | |
| SCHEMBL17391948 | 0.79 | NPSR1 (0.54) | KDM4EALDH1A1MAPTAKR1C3MAOB | |
| SCHEMBL28827763 | 0.79 | HSD17B3 (0.51) | KMT2AALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL2500243 | 0.79 | AKR1C3 (0.63) | CYP1A2CYP2C9KDM4EKMT2AALDH1A1 | |
| SCHEMBL28827766 | 0.79 | HSD17B3 (0.51) | KMT2AALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL28687631 | 0.79 | APP (0.43) | KDM4EKMT2AALDH1A1MEN1AKR1C3 |
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-111592519-B | Fluorine-containing carboxylic acid compound and preparation method thereof | 四川大学 | 2021-03-23 | — | — | CN | disclosed |
| CN-111592519-A | Fluorine-containing carboxylic acid compound and preparation method thereof | 四川大学 | 2020-08-28 | — | — | CN | disclosed |