Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | DRD4 | P21917 | 2/20 | 0.48 |
| ▸ | HTT | P42858 | 4/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.45 |
| ▸ | HTR7 | P34969 | 1/20 | 0.44 |
| ▸ | HTR1A | P08908 | 1/20 | 0.44 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | DRD3 | P35462 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | PARP1 | P09874 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL23014151 | 0.86 | ALDH1A1 (0.56) | ALDH1A1DRD4HTTLMNATSHR | |
| SCHEMBL23014123 | 0.80 | DRD4 (0.70) | ALDH1A1DRD4HTTLMNATSHR | |
| SCHEMBL23014286 | 0.77 | HTR1A (0.55) | ALDH1A1DRD4HTTTSHRKDM4E | |
| SCHEMBL23014235 | 0.77 | HTR1A (0.58) | DRD4HTTLMNASMN1; SMN2SLC6A4 | |
| SCHEMBL23014362 | 0.70 | HTR1A (0.57) | ALDH1A1DRD4LMNATSHRKDM4E | |
| SCHEMBL23014160 | 0.69 | CHRM3 (0.61) | ALDH1A1LMNATSHRSMN1; SMN2MAPK1 | |
| SCHEMBL4002378 | 0.69 | DRD4 (0.69) | ALDH1A1DRD4SLC6A4HTR1ADRD2 | |
| SCHEMBL4011544 | 0.69 | DRD4 (0.67) | ALDH1A1DRD4LMNAKDM4EHPGD | |
| SCHEMBL23014309 | 0.68 | CACNA1G (0.52) | ALDH1A1TSHRKDM4ESMN1; SMN2HPGD | |
| SCHEMBL4004278 | 0.68 | ALDH1A1 (0.69) | ALDH1A1DRD4SMN1; SMN2SLC6A4HTR1A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021034087-A1 | NOVEL COMPOUND HAVING CANCER METASTASIS INHIBITORY ACTIVITY, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION FOR INHIBITING CANCER METASTASIS AND INVASION OR TREATING COLORECTAL CANCER, COMPRISING COMPOUND | 주식회사 셀젠텍 | 2021-02-25 | — | — | WO | disclosed |