Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | FABP7 | O15540 | 1/20 | 0.46 |
| ▸ | FABP5 | Q01469 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CASP1 | P29466 | 1/20 | 0.45 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | BACE1 | P56817 | 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 | |
|---|---|---|---|---|
| SCHEMBL6758990 | 0.84 | ALDH1A1 (0.51) | ALDH1A1HPGDTSHRFABP7FABP5 | |
| SCHEMBL6876401 | 0.83 | ALDH1A1 (0.50) | ALDH1A1HPGDTSHRFABP7FABP5 | |
| SCHEMBL1907855 | 0.83 | ALDH1A1 (0.50) | ALDH1A1HPGDTSHRFABP7FABP5 | |
| SCHEMBL6758987 | 0.83 | ALDH1A1 (0.50) | ALDH1A1HPGDTSHRFABP7FABP5 | |
| SCHEMBL15270499 | 0.82 | ALDH1A1 (0.49) | ALDH1A1HPGDTSHRFABP7FABP5 | |
| SCHEMBL15289517 | 0.82 | ALDH1A1 (0.49) | ALDH1A1HPGDTSHRFABP7FABP5 | |
| SCHEMBL2209386 | 0.81 | TDP1 (0.50) | ALDH1A1HPGDTSHRFABP7FABP5 | |
| SCHEMBL16699842 | 0.81 | FABP7 (0.48) | ALDH1A1HPGDTSHRFABP7FABP5 | |
| SCHEMBL23950204 | 0.81 | ALDH1A1 (0.47) | ALDH1A1HPGDTSHRFABP7FABP5 | |
| SCHEMBL28378581 | 0.81 | BACE1 (0.50) | ALDH1A1HPGDTSHRFABP7FABP5 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7553841-B2 | Amino cyclobutylamide modulators of chemokine receptor activity | MERCK & CO., INC. (US) | 2009-06-30 | — | — | US | disclosed |
| US-7553841-B2 | Amino cyclobutylamide modulators of chemokine receptor activity | MERCK & CO., INC. (US) | 2009-06-30 | — | — | US | disclosed |