Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 2/20 | 0.48 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | CASP3 | P42574 | 1/20 | 0.38 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.38 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.38 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.38 |
| ▸ | METAP1 | P53582 | 1/20 | 0.36 |
| ▸ | CTSA | P10619 | 1/20 | 0.36 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | AR | P10275 | 1/20 | 0.35 |
| ▸ | MGAM | O43451 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | SI | P14410 | 2/20 | 0.35 |
| ▸ | MGAM2 | Q2M2H8 | 2/20 | 0.35 |
| ▸ | HPGDS | O60760 | 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 | |
|---|---|---|---|---|
| SCHEMBL29228513 | 0.80 | BDKRB1 (0.35) | KMT2ACYP1A2ALDH1A1HPGDSBDKRB1 | |
| SCHEMBL29014181 | 0.80 | HCRTR1 (0.51) | HCRTR1HCRTR2KMT2ACTSAALDH1A1 | |
| SCHEMBL29228557 | 0.79 | S1PR1 (0.40) | HCRTR1HCRTR2CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL1577350 | 0.74 | GRM6 (0.47) | KMT2AALDH1A1BDKRB1BRS3 | |
| SCHEMBL30960688 | 0.72 | CYP1A2 (0.37) | KMT2ACYP1A2CYP2D6CYP2C19CASP3 | |
| SCHEMBL3639210 | 0.72 | BDKRB1 (0.45) | CYP1A2CYP2C19ALDH1A1BDKRB1BRS3 | |
| SCHEMBL30960750 | 0.72 | HCRTR1 (0.45) | HCRTR1HCRTR2KMT2ACYP1A2CYP2D6 | |
| SCHEMBL8567274 | 0.71 | PDPK1 (0.55) | HCRTR1HCRTR2ALDH1A1ARMGAM | |
| SCHEMBL29228649 | 0.71 | HCRTR2 (0.43) | HCRTR1HCRTR2METAP1GPR119ALDH1A1 | |
| SCHEMBL28126455 | 0.70 | GPR119 (0.55) | GPR119HPGDS |
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-118027018-A | Tetrahydrocyclopentyl [ c ] pyrrole methyl ketone derivative, preparation method and application thereof | 江苏恩华药业股份有限公司 | 2024-05-14 | — | — | CN | disclosed |
| CN-116217593-A | Octahydropyrrolo [3,4-c ] pyrrole methyl ketone derivative and application thereof | 江苏恩华药业股份有限公司 | 2023-06-06 | — | — | CN | disclosed |