Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 5/20 | 0.71 |
| ▸ | TBXA2R | P21731 | 5/20 | 0.71 |
| ▸ | PTGER4 | P35408 | 4/20 | 0.67 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.61 |
| ▸ | HPGD | P15428 | 2/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.59 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.59 |
| ▸ | NPC1 | O15118 | 2/20 | 0.59 |
| ▸ | MAPT | P10636 | 2/20 | 0.59 |
| ▸ | RAB9A | P51151 | 2/20 | 0.59 |
| ▸ | HTT | P42858 | 2/20 | 0.59 |
| ▸ | MEN1 | O00255 | 1/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.59 |
| ▸ | GFER | P55789 | 1/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.59 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL28600078 | 0.90 | DRD2 (0.69) | DRD2TBXA2RPTGER4KDM4EALDH1A1 | |
| SCHEMBL28597103 | 0.88 | DRD2 (0.66) | DRD2TBXA2RPTGER4KDM4EALDH1A1 | |
| SCHEMBL28610296 | 0.86 | PTGER4 (0.67) | DRD2TBXA2RPTGER4KDM4EALDH1A1 | |
| SCHEMBL31472968 | 0.85 | HDAC6 (0.62) | DRD2TBXA2RPTGER4KDM4EALDH1A1 | |
| SCHEMBL2879379 | 0.84 | DRD2 (0.85) | DRD2TBXA2RKDM4EALDH1A1HPGD | |
| SCHEMBL3497345 | 0.83 | DRD2 (0.62) | DRD2TBXA2RKDM4EALDH1A1HPGD | |
| SCHEMBL17938355 | 0.81 | PTGER4 (1.00) | PTGER4 | |
| SCHEMBL17938347 | 0.80 | PTGER4 (0.86) | PTGER4 | |
| SCHEMBL10080422 | 0.80 | KDM4E (0.80) | DRD2KDM4EALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL11313561 | 0.79 | KDM4E (0.73) | KDM4EALDH1A1HPGDSMN1; SMN2NPSR1 |
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-113166073-A | Benzoheterocyclic compounds and compositions for preventing or treating cancer diseases containing the same as active ingredient | 启明大学校产学协力团 | 2021-07-23 | — | — | CN | disclosed |