Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 5/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | ALPG | P10696 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | MLYCD | O95822 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.37 |
| ▸ | CTSL | P07711 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.36 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.36 |
| ▸ | CTSS | P25774 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28921764 | 0.92 | LMNA (0.51) | CES1LMNASMN1; SMN2HPGDALDH1A1 | |
| SCHEMBL28628337 | 0.92 | FFAR1 (0.42) | CES1LMNASMN1; SMN2HPGDALDH1A1 | |
| SCHEMBL28616954 | 0.90 | CA2 (0.41) | CES1LMNASMN1; SMN2HPGDALDH1A1 | |
| SCHEMBL28634373 | 0.81 | ALDH1A1 (0.46) | LMNAALDH1A1HTTKMT2APOLB | |
| SCHEMBL4692369 | 0.77 | TRPA1 (0.42) | LMNASMN1; SMN2HPGDALDH1A1NPSR1 | |
| SCHEMBL31326025 | 0.74 | TSHR (0.53) | CES1LMNASMN1; SMN2HPGDALDH1A1 | |
| SCHEMBL1754734 | 0.74 | TSHR (0.53) | CES1LMNASMN1; SMN2HPGDALDH1A1 | |
| SCHEMBL28693748 | 0.71 | L3MBTL1 (0.44) | CES1LMNASMN1; SMN2HPGDALDH1A1 | |
| SCHEMBL8595325 | 0.70 | ALDH1A1 (0.59) | LMNASMN1; SMN2HPGDALDH1A1NPSR1 | |
| SCHEMBL9556420 | 0.70 | FFAR1 (0.51) | KMT2ATSHR |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113354495-A | Difluorone carbonyl substituted asymmetric nitrile compound and preparation and application thereof | 上海应用技术大学 | 2021-09-07 | — | — | CN | disclosed |