Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 5/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.44 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 4/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | USP2 | O75604 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 3/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4776952 | 0.88 | LMNA (0.46) | NPSR1ALDH1A1MEN1KMT2AMCOLN3 | |
| SCHEMBL4778604 | 0.86 | NPSR1 (0.46) | NPSR1ALDH1A1MEN1KMT2AMCOLN3 | |
| SCHEMBL4776587 | 0.81 | KDM4E (0.45) | NPSR1ALDH1A1MEN1KMT2AMCOLN3 | |
| SCHEMBL4770304 | 0.81 | NPSR1 (0.39) | NPSR1ALDH1A1MEN1KMT2AMCOLN3 | |
| SCHEMBL4779189 | 0.81 | NPSR1 (0.43) | NPSR1ALDH1A1MEN1KMT2AMCOLN3 | |
| SCHEMBL4776309 | 0.80 | NPSR1 (0.42) | NPSR1ALDH1A1MEN1KMT2AMCOLN3 | |
| SCHEMBL4773595 | 0.79 | ALDH1A1 (0.43) | NPSR1ALDH1A1MEN1KMT2AMCOLN3 | |
| SCHEMBL4778352 | 0.78 | ALDH1A1 (0.40) | NPSR1ALDH1A1MEN1KMT2ALMNA | |
| SCHEMBL4774991 | 0.77 | LMNA (0.39) | NPSR1ALDH1A1LMNAMAPTHTT | |
| SCHEMBL4773571 | 0.75 | CNR1 (0.48) | — |
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-1996550-A2 | CARBOXYAMINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF HDAC DEPENDENT DISEASES | Novartis AG (CH) | 2008-12-03 | — | — | EP | disclosed |
| WO-2007038459-A2 | CARBOXYAMINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF HDAC DEPENDENT DISEASES | NOVARTIS AG (CH) | 2007-04-05 | — | — | WO | disclosed |