Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 4/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | CTSS | P25774 | 1/20 | 0.41 |
| ▸ | CTSK | P43235 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | RET | P07949 | 2/20 | 0.38 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.38 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | NAMPT | P43490 | 1/20 | 0.37 |
| ▸ | WNT3A | P56704 | 1/20 | 0.37 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL22579238 | 0.82 | ABCB1 (0.51) | ABCB1HDAC1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL22579239 | 0.82 | ABCB1 (0.51) | ABCB1HDAC1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL22579225 | 0.78 | MAPT (0.51) | ABCB1SMN1; SMN2MEN1KMT2ACYP2C19 | |
| SCHEMBL22579236 | 0.76 | ABCB1 (0.41) | ABCB1HDAC1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL22641722 | 0.71 | PDK2 (0.44) | ABCB1HDAC1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL22579252 | 0.71 | RET (0.52) | RETWNT3A | |
| SCHEMBL22579251 | 0.70 | HDAC4 (0.50) | ABCB1HDAC1 | |
| SCHEMBL4719112 | 0.70 | ABCB1 (0.56) | ABCB1SMN1; SMN2MEN1KMT2ACYP2C19 | |
| SCHEMBL22579264 | 0.70 | HDAC3 (0.64) | HDAC1 | |
| SCHEMBL4719115 | 0.70 | ABCB1 (0.56) | ABCB1SMN1; SMN2MEN1KMT2ACYP2C19 |
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-3736266-A1 | COMPOUND SIMULTANEOUSLY INHIBITING LSD1 AND HDAC TARGETS AND APPLICATION THEREOF | Peking University Shenzhen Graduate School (CN) | 2020-11-11 | — | — | EP | disclosed |