Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | CASP7 | P55210 | 1/20 | 0.39 |
| ▸ | SMAD3 | P84022 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | DPP4 | P27487 | 2/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.35 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.34 |
| ▸ | CCR5 | P51681 | 6/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5205525 | 0.85 | MCL1 (0.39) | KDM4EALDH1A1TP53CCR5HDAC4 | |
| SCHEMBL27521223 | 0.79 | TAAR1 (0.33) | KDM4EMEN1ALDH1A1LMNATP53 | |
| SCHEMBL27547633 | 0.77 | CCR5 (0.48) | TAAR1CCR5HDAC1HRH3 | |
| SCHEMBL5240544 | 0.76 | MYC (0.39) | KDM4EMEN1ALDH1A1LMNAKMT2A | |
| Hydrochloric Acid SCHEMBL5204621 | 0.75 | MYC (0.38) | MEN1ALDH1A1LMNAMAPTKMT2A | |
| SCHEMBL27547663 | 0.73 | CCR5 (0.49) | CCR5 | |
| SCHEMBL28745964 | 0.73 | TAAR1 (0.41) | TAAR1CCR5HDAC1HRH3KLKB1 | |
| SCHEMBL27573369 | 0.73 | ALOX5 (0.49) | KDM4EMEN1ALDH1A1LMNATP53 | |
| SCHEMBL27537149 | 0.71 | TAAR1 (0.39) | LMNADPP4TAAR1CCR5HDAC1 | |
| SCHEMBL5549420 | 0.70 | TNKS (0.38) | KDM4EMEN1ALDH1A1LMNAGAA |
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 |
|---|---|---|---|---|---|---|---|
| CN-1282243-A | Pharmaceutical composition containing anilide derivative for antagonizing CCR5 | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2001-01-31 | — | — | CN | disclosed |