Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.47 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.47 |
| ▸ | SMYD3 | Q9H7B4 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | F10 | P00742 | 7/20 | 0.46 |
| ▸ | EP300 | Q09472 | 3/20 | 0.44 |
| ▸ | NAMPT | P43490 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.43 |
| ▸ | F2 | P00734 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL20615680 | 0.92 | HDAC3 (0.52) | HDAC3HDAC4HDAC1HDAC6MAPK1 | |
| SCHEMBL8257982 | 0.85 | GAA (0.52) | HDAC3HDAC4HDAC1HDAC6SMYD3 | |
| SCHEMBL20618506 | 0.84 | HDAC3 (0.58) | HDAC3HDAC4HDAC1HDAC6MAPK1 | |
| SCHEMBL8260076 | 0.77 | CHRNA7 (0.47) | SMYD3EP300CHRM1 | |
| SCHEMBL8251721 | 0.77 | CHRNA7 (0.47) | SMYD3F10EP300CHRM1 | |
| SCHEMBL8259083 | 0.77 | MAPK1 (0.47) | MAPK1F10HPGDTSHR | |
| SCHEMBL8255991 | 0.77 | SMYD3 (0.58) | SMYD3NAMPTCHRM1 | |
| SCHEMBL8257466 | 0.77 | SMN1; SMN2 (0.49) | MAPK1F10HPGDTSHRF2 | |
| SCHEMBL5436124 | 0.77 | SMN1; SMN2 (0.49) | MAPK1F10HPGDTSHRF2 | |
| SCHEMBL8251860 | 0.76 | F10 (0.46) | HDAC3HDAC4HDAC1HDAC6MAPK1 |
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 |