Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | MITF | O75030 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | BCL2A1 | Q16548 | 1/20 | 0.34 |
| ▸ | TIPARP | Q7Z3E1 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.33 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.33 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.33 |
| ▸ | NAMPT | P43490 | 2/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL21257761 | 0.88 | CYP3A4 (0.40) | CYP3A4MITFLMNAMAPTHTT | |
| SCHEMBL21257758 | 0.72 | NOTUM (0.38) | LMNAMAPTBCL2A1 | |
| SCHEMBL21257763 | 0.72 | ALDH1A1 (0.36) | — | |
| SCHEMBL256354 | 0.72 | SIGMAR1 (0.46) | MITFLMNAMAPTHTTRAB9A | |
| SCHEMBL5821415 | 0.70 | MITF (0.40) | CYP3A4MITFLMNAMAPTHTT | |
| SCHEMBL21257766 | 0.70 | IKBKB (0.38) | MITFLMNAMAPTHTTRAB9A | |
| SCHEMBL21257793 | 0.69 | LMNA (0.40) | MITFLMNAMAPTHTTRAB9A | |
| SCHEMBL21257759 | 0.69 | SLC6A2 (0.40) | — | |
| SCHEMBL12045381 | 0.68 | ACVRL1 (0.43) | CYP3A4CYP1A2CYP11B1CYP11B2CYP17A1 | |
| SCHEMBL19496039 | 0.67 | CYP11B1 (0.55) | CYP3A4CYP1A2CYP11B1CYP11B2CYP17A1 |
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-2019154261-A1 | PYRIDINE DERIVATIVE RELATED TO KMD5 PATHWAY | 南京明德新药研发股份有限公司 | 2019-08-15 | — | — | WO | disclosed |