Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 3/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | HCAR2 | Q8TDS4 | 5/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | DDO | Q99489 | 1/20 | 0.39 |
| ▸ | FOLH1 | Q04609 | 2/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.33 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL29519642 | 0.84 | HCAR2 (0.57) | HTTALOX15RAB9AHCAR2KDM4E | |
| SCHEMBL2112627 | 0.84 | HCAR2 (0.57) | HTTALOX15RAB9AHCAR2KDM4E | |
| SCHEMBL1477605 | 0.82 | SIRT2 (0.45) | KDM4EALDH1A1MEN1KMT2ALMNA | |
| SCHEMBL5700141 | 0.82 | MKNK1 (0.47) | HCAR2KDM4EALDH1A1MEN1KMT2A | |
| SCHEMBL23181527 | 0.77 | HCAR2 (0.41) | HCAR2POLB | |
| SCHEMBL18103155 | 0.77 | RAF1 (0.47) | KDM4EALDH1A1FOLH1 | |
| SCHEMBL5699966 | 0.77 | SMN1; SMN2 (0.43) | HTTALOX15SMN1; SMN2HCAR2KDM4E | |
| SCHEMBL2247463 | 0.77 | ATM (0.65) | KDM4EALDH1A1POLBLMNAATM | |
| SCHEMBL16725467 | 0.73 | FOLH1 (0.49) | SMN1; SMN2KDM4EALDH1A1POLBFOLH1 | |
| SCHEMBL18100441 | 0.73 | XDH (0.56) | MAPTKDM4EALDH1A1MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-102232067-A | Nicotinamide derivatives | CRC FOR BIOMEDICAL IMAGING DEV LTD | 2011-11-02 | — | — | CN | disclosed |