Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADAMTS4 | O75173 | 2/20 | 0.50 |
| ▸ | ADAMTS5 | Q9UNA0 | 2/20 | 0.50 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.50 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.50 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.50 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.50 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.50 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.50 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.50 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.50 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.50 |
| ▸ | CHRM1 | P11229 | 8/20 | 0.47 |
| ▸ | MMP2 | P08253 | 1/20 | 0.47 |
| ▸ | MMP3 | P08254 | 1/20 | 0.47 |
| ▸ | MMP13 | P45452 | 1/20 | 0.47 |
| ▸ | MMP14 | P50281 | 1/20 | 0.47 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.47 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL22373887 | 1.00 | ADAMTS4 (0.50) | ADAMTS4ADAMTS5HDAC3HDAC1HDAC2 | |
| SCHEMBL23920228 | 0.93 | CHRM1 (0.55) | ADAMTS4ADAMTS5HDAC3HDAC1HDAC2 | |
| SCHEMBL30578718 | 0.93 | CHRM1 (0.55) | ADAMTS4ADAMTS5HDAC3HDAC1HDAC2 | |
| Trifluoroacetic Acid SCHEMBL22362359 | 0.93 | ADAMTS4 (0.45) | ADAMTS4ADAMTS5HDAC3HDAC1HDAC2 | |
| Trifluoroacetic Acid SCHEMBL22777600 | 0.86 | CHRM1 (0.49) | ADAMTS4ADAMTS5HDAC3HDAC1HDAC2 | |
| Trifluoroacetic Acid SCHEMBL29447008 | 0.86 | CHRM1 (0.49) | ADAMTS4ADAMTS5HDAC3HDAC1HDAC2 | |
| SCHEMBL22777445 | 0.81 | RAB9A (0.54) | ADAMTS4ADAMTS5HDAC3HDAC1HDAC2 | |
| SCHEMBL29447009 | 0.81 | RAB9A (0.54) | ADAMTS4ADAMTS5HDAC3HDAC1HDAC2 | |
| SCHEMBL22373837 | 0.81 | HDAC3 (0.51) | ADAMTS4ADAMTS5HDAC3HDAC1HDAC2 | |
| SCHEMBL22777444 | 0.81 | RAB9A (0.54) | ADAMTS4ADAMTS5HDAC3HDAC1HDAC2 |
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 |