Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | HPGD | P15428 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | CES2 | O00748 | 2/20 | 0.45 |
| ▸ | CES1 | P23141 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | DAO | P14920 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Acetophenone SCHEMBL16745259 | 0.82 | — | — | |
| Acetophenone SCHEMBL737 | 0.82 | — | — | |
| Acetophenone SCHEMBL719033 | 0.82 | MAPT (0.71) | SMN1; SMN2MAPTALDH1A1HPGDLMNA | |
| Acetophenone SCHEMBL30537000 | 0.82 | — | — | |
| Acetophenone SCHEMBL1450855 | 0.82 | — | — | |
| Acetophenone SCHEMBL27462873 | 0.82 | MAPT (0.71) | SMN1; SMN2MAPTALDH1A1HPGDLMNA | |
| Acetophenone SCHEMBL30537005 | 0.82 | — | — | |
| Acetophenone SCHEMBL27480838 | 0.80 | MAPT (0.58) | SMN1; SMN2MAPTALDH1A1HPGDLMNA | |
| Acetophenone SCHEMBL29048857 | 0.80 | MAPT (0.62) | SMN1; SMN2MAPTALDH1A1HPGDLMNA | |
| Acetophenone SCHEMBL6482494 | 0.79 | MAPT (0.68) | SMN1; SMN2MAPTALDH1A1HPGDLMNA |
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-104974135-A | Targeted DNA (deoxyribonucleic acid) naphthyldiimide-structure-containing celecoxib derivatives with antitumor activity, pharmaceutical composition, and preparation method and application thereof | UNIV HEBEI | 2015-10-14 | — | — | CN | disclosed |