Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.52 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | ESR1 | P03372 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | HPGD | P15428 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | SMYD3 | Q9H7B4 | 2/20 | 0.47 |
| ▸ | PBK | Q96KB5 | 3/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.45 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.45 |
| ▸ | EP300 | Q09472 | 3/20 | 0.45 |
| ▸ | NAMPT | P43490 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8258082 | 0.85 | HDAC3 (0.47) | HPGDSMYD3HDAC3HDAC4HDAC1 | |
| SCHEMBL8259095 | 0.82 | EP300 (0.46) | SMYD3PBKEP300NAMPTMEN1 | |
| SCHEMBL8259423 | 0.80 | EP300 (0.47) | SMYD3PBKEP300NAMPT | |
| SCHEMBL14720114 | 0.78 | SMYD3 (0.58) | KDM4EHPGDALDH1A1SMYD3HDAC3 | |
| SCHEMBL20615680 | 0.77 | HDAC3 (0.52) | HPGDHDAC3HDAC4HDAC1HDAC6 | |
| SCHEMBL8259426 | 0.76 | ALDH1A1 (0.55) | TDP1NPC1RAB9AHPGDALDH1A1 | |
| SCHEMBL13325386 | 0.74 | NAMPT (0.63) | GAAKDM4EHPGDSMYD3HDAC3 | |
| SCHEMBL5094284 | 0.74 | NAMPT (0.63) | GAAKDM4EHPGDSMYD3HDAC3 | |
| SCHEMBL13325381 | 0.74 | NAMPT (0.63) | GAAKDM4EHPGDSMYD3HDAC3 | |
| SCHEMBL8251721 | 0.73 | CHRNA7 (0.47) | SMYD3EP300 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7820699-B2 | Cyclic amines | HOFFMANN-LA ROCHE INC. (US) | 2010-10-26 | — | — | US | disclosed |
| US-7820699-B2 | Cyclic amines | HOFFMANN-LA ROCHE INC. (US) | 2010-10-26 | — | — | US | disclosed |
| WO-2006114401-A2 | NOVEL CYCLIC AMINES | F. HOFFMANN-LA ROCHE AG (CH) | 2006-11-02 | — | — | WO | disclosed |