Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.69 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.69 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.66 |
| ▸ | RAB9A | P51151 | 2/20 | 0.58 |
| ▸ | LMNA | P02545 | 2/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.58 |
| ▸ | NPC1 | O15118 | 1/20 | 0.58 |
| ▸ | TP53 | P04637 | 1/20 | 0.58 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.58 |
| ▸ | DRD4 | P21917 | 3/20 | 0.56 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | CA1 | P00915 | 1/20 | 0.53 |
| ▸ | CA2 | P00918 | 1/20 | 0.53 |
| ▸ | CA7 | P43166 | 1/20 | 0.53 |
| ▸ | CA9 | Q16790 | 1/20 | 0.53 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.53 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.53 |
| ▸ | ABL1 | P00519 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL23014313 | 0.86 | CYP2C9 (0.66) | CYP2C9CYP2C19KDM4ERAB9ALMNA | |
| SCHEMBL15822962 | 0.82 | CYP2C19 (1.00) | CYP2C9CYP2C19KDM4ELMNANPC1 | |
| SCHEMBL30098940 | 0.82 | CYP2C19 (1.00) | CYP2C9CYP2C19KDM4ELMNANPC1 | |
| SCHEMBL13791587 | 0.81 | SIGMAR1 (0.72) | KDM4ERAB9ALMNASMN1; SMN2NPC1 | |
| SCHEMBL5681767 | 0.79 | RAB9A (0.73) | KDM4ERAB9ASMN1; SMN2NPC1KMT2A | |
| SCHEMBL1013481 | 0.78 | ALDH1A1 (0.62) | KDM4ERAB9ALMNASMN1; SMN2NPC1 | |
| SCHEMBL10153821 | 0.78 | ABL1 (0.59) | CYP2C9RAB9ALMNASMN1; SMN2NPC1 | |
| SCHEMBL30512200 | 0.78 | ALDH1A1 (0.62) | KDM4ERAB9ALMNASMN1; SMN2NPC1 | |
| SCHEMBL4716344 | 0.77 | CYP2C9 (0.69) | CYP2C9CYP2C19KDM4ELMNATP53 | |
| Hydrochloric Acid SCHEMBL5012353 | 0.77 | CACNA1G (0.84) | CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| EP-4019495-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 | Cellgentek Co., Ltd (KR) | 2022-06-29 | — | — | EP | disclosed |