Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | KDM1A | O60341 | 2/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | USP30 | Q70CQ3 | 2/20 | 0.40 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL10343086 | 1.00 | DRD2 (0.47) | DRD2GAASMN1; SMN2NPSR1KDM4E | |
| SCHEMBL1515026 | 0.84 | DRD2 (0.59) | DRD2SMN1; SMN2KDM1AMAOAMAOB | |
| SCHEMBL11525435 | 0.82 | KDM1A (0.49) | DRD2KDM1AMAOAMAOBGRM2 | |
| SCHEMBL11525429 | 0.82 | KDM1A (0.49) | DRD2KDM1AMAOAMAOBGRM2 | |
| SCHEMBL11619864 | 0.81 | TSHR (0.47) | GAASMN1; SMN2KDM4EMEN1KMT2A | |
| SCHEMBL11615819 | 0.81 | NQO1 (0.45) | DRD2GAAMAOAMAOBALDH1A1 | |
| SCHEMBL10177643 | 0.80 | GAA (0.42) | DRD2GAASMN1; SMN2NPSR1KDM4E | |
| SCHEMBL11615675 | 0.79 | SLC18A3 (0.40) | SMN1; SMN2KDM4EMEN1KMT2AALDH1A1 | |
| SCHEMBL11619050 | 0.79 | CYP1A2 (0.47) | DRD2MAOAMAOBALDH1A1MAPT | |
| SCHEMBL30909 | 0.79 | ESR2 (0.41) | GAASMN1; SMN2KMT2AALDH1A1MAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0259346-B1 | R-1-CYAN-1-R2 -CIS-4-R1 -CYCLOHEXANE COMPOUNDS | MERCK PATENT GmbH (DE) | 1990-04-04 | — | — | EP | disclosed |
| EP-0259346-A1 | r-1-CYAN-1-R2 -CIS-4-R1 -CYCLOHEXANE COMPOUNDS. | MERCK PATENT GMBH (DE) | 1988-03-16 | — | — | EP | disclosed |
| WO-1987005618-A1 | r-1-CYAN-1-R2-CIS-4-R1-CYCLOHEXANE COMPOUNDS | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1987-09-24 | — | — | WO | disclosed |