Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP14 | Q460N5 | 2/20 | 0.48 |
| ▸ | PARP10 | Q53GL7 | 2/20 | 0.48 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 4/20 | 0.46 |
| ▸ | CRHBP | P24387 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.46 |
| ▸ | LTA4H | P09960 | 1/20 | 0.45 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.43 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28522648 | 0.87 | LTA4H (0.60) | PARP14PARP10MAPTCRHBPHTT | |
| SCHEMBL2359935 | 0.84 | ADRB1 (0.59) | MAPTMEN1KMT2AALDH1A1NPC1 | |
| SCHEMBL29786218 | 0.84 | ADRB1 (0.59) | MAPTMEN1KMT2AALDH1A1NPC1 | |
| SCHEMBL11510734 | 0.81 | SLC6A2 (0.52) | PARP14PARP10SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL4052281 | 0.80 | AKR1C3 (0.52) | MAPTLMNAMEN1KMT2AALDH1A1 | |
| SCHEMBL30228382 | 0.80 | SLC6A2 (0.51) | PARP14PARP10SLC6A2SLC6A4SLC6A3 | |
| Hydrochloric Acid SCHEMBL27859960 | 0.79 | CYP2C9 (0.50) | MAPTLMNAMEN1KMT2AALDH1A1 | |
| SCHEMBL20708552 | 0.78 | ALDH1A1 (0.60) | SLC6A4MAPTHTTLMNAALDH1A1 | |
| SCHEMBL23222244 | 0.77 | DRD2 (0.56) | MAPTLMNAMEN1KMT2AALDH1A1 | |
| SCHEMBL4671113 | 0.77 | SLC6A2 (0.49) | PARP14PARP10SLC6A2SLC6A4SLC6A3 |
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-112341396-B | Novel monoacylglycerol esterase inhibitor and preparation method and application thereof | 四川大学华西医院 | 2022-07-26 | — | — | CN | disclosed |
| CN-112341396-A | Novel monoacylglycerol esterase inhibitor and preparation method and application thereof | 四川大学华西医院 | 2021-02-09 | — | — | CN | disclosed |