Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 9/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | P2RY14 | Q15391 | 1/20 | 0.39 |
| ▸ | MAP3K5 | Q99683 | 1/20 | 0.38 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.36 |
| ▸ | F2 | P00734 | 1/20 | 0.36 |
| ▸ | F10 | P00742 | 1/20 | 0.36 |
| ▸ | PLG | P00747 | 1/20 | 0.36 |
| ▸ | F7 | P08709 | 1/20 | 0.36 |
| ▸ | F3 | P13726 | 1/20 | 0.36 |
| ▸ | NAMPT | P43490 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | PPARG | P37231 | 1/20 | 0.35 |
| ▸ | PPARA | Q07869 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | MMP2 | P08253 | 1/20 | 0.34 |
| ▸ | MMP3 | P08254 | 1/20 | 0.34 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL651518 | 0.84 | HDAC1 (0.52) | HDAC1HDAC2P2RY14MAP3K5CYP17A1 | |
| SCHEMBL4282110 | 0.83 | HDAC1 (0.49) | HDAC1HDAC2P2RY14MAP3K5CYP17A1 | |
| SCHEMBL4282116 | 0.83 | HDAC1 (0.54) | HDAC1HDAC2P2RY14MAP3K5CYP17A1 | |
| SCHEMBL10121375 | 0.82 | HDAC1 (0.49) | HDAC1HDAC2P2RY14MAP3K5CYP17A1 | |
| SCHEMBL3769556 | 0.79 | HDAC1 (0.48) | HDAC1HDAC2P2RY14CYP17A1NAMPT | |
| SCHEMBL2686960 | 0.78 | HDAC1 (0.41) | HDAC1HDAC2P2RY14MAP3K5CYP17A1 | |
| SCHEMBL8172813 | 0.78 | HDAC1 (0.46) | HDAC1HDAC2CYP17A1NPC1RAB9A | |
| SCHEMBL25244303 | 0.77 | HDAC1 (0.43) | HDAC1HDAC2P2RY14MAP3K5CYP17A1 | |
| SCHEMBL25214036 | 0.77 | HDAC1 (0.43) | HDAC1HDAC2P2RY14MAP3K5CYP17A1 | |
| SCHEMBL5548615 | 0.76 | HDAC1 (0.42) | HDAC1HDAC2P2RY14NAMPTHDAC6 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8119685-B2 | Disubstituted aniline compounds | MERCK SHARP & DOHME CORP. (US) | 2012-02-21 | — | — | US | disclosed |