Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.45 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.44 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.44 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.42 |
| ▸ | PKM | P14618 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | MGLL | Q99685 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL15081479 | 0.92 | ADRB2 (0.46) | HDAC3HDAC1HDAC2ADRB2ADRB1 | |
| SCHEMBL14928993 | 0.90 | HDAC3 (0.47) | HDAC3HDAC1HDAC2ADRB2ADRB1 | |
| SCHEMBL15081420 | 0.87 | ADRB2 (0.48) | ADRB2ADRB1ADRB3L3MBTL1ATM | |
| SCHEMBL25612582 | 0.84 | HDAC3 (0.49) | HDAC3HDAC1HDAC2ADRB2ADRB1 | |
| SCHEMBL14928720 | 0.82 | ADRB2 (0.48) | HDAC3HDAC1HDAC2ADRB2ADRB1 | |
| SCHEMBL17941247 | 0.81 | ALDH1A1 (0.50) | HDAC3HDAC1HDAC2ADRB2ADRB1 | |
| SCHEMBL1142097 | 0.80 | ALDH1A1 (0.52) | HDAC3HDAC1HDAC2ADRB2ADRB1 | |
| SCHEMBL29051938 | 0.80 | ALDH1A1 (0.52) | HDAC3HDAC1HDAC2ADRB2ADRB1 | |
| SCHEMBL260436 | 0.80 | ALDH1A1 (0.52) | HDAC3HDAC1HDAC2ADRB2ADRB1 | |
| SCHEMBL29052458 | 0.80 | ALDH1A1 (0.52) | HDAC3HDAC1HDAC2ADRB2ADRB1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2589592-A1 | NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF | FUJIFILM Corporation (JP) | 2013-05-08 | — | — | EP | disclosed |
| WO-2012002577-A1 | NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF | 富士フイルム株式会社 (JP) | 2012-01-05 | — | — | WO | disclosed |