Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.79 |
| ▸ | MAPT | P10636 | 1/20 | 0.79 |
| ▸ | RAB9A | P51151 | 1/20 | 0.79 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.79 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.78 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.70 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.70 |
| ▸ | MAOA | P21397 | 1/20 | 0.70 |
| ▸ | MAOB | P27338 | 1/20 | 0.70 |
| ▸ | BCHE | P06276 | 12/20 | 0.69 |
| ▸ | ACHE | P22303 | 9/20 | 0.69 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.67 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.67 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.67 |
| ▸ | RELA | Q04206 | 1/20 | 0.67 |
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 | |
|---|---|---|---|---|
| SCHEMBL11730613 | 0.94 | MAOA (0.79) | ABCG2CYP1A1CYP1B1MAOAMAOB | |
| SCHEMBL11730618 | 0.94 | MAOA (0.79) | ABCG2CYP1A1CYP1B1MAOAMAOB | |
| SCHEMBL27946959 | 0.92 | NPC1 (0.75) | NPC1MAPTRAB9AKMT2AABCG2 | |
| SCHEMBL25214471 | 0.90 | ABCG2 (0.80) | NPC1MAPTRAB9AKMT2AABCG2 | |
| SCHEMBL13207452 | 0.90 | MAPT (0.76) | NPC1MAPTRAB9AKMT2AABCG2 | |
| SCHEMBL11776508 | 0.88 | MAPT (1.00) | NPC1MAPTRAB9AKMT2AABCG2 | |
| SCHEMBL11776503 | 0.88 | MAPT (1.00) | NPC1MAPTRAB9AKMT2AABCG2 | |
| SCHEMBL12587229 | 0.88 | MAOB (0.74) | NPC1MAPTRAB9AKMT2AABCG2 | |
| SCHEMBL25195851 | 0.88 | ABCG2 (0.76) | NPC1MAPTRAB9AKMT2AABCG2 | |
| SCHEMBL25194776 | 0.88 | ABCG2 (0.76) | NPC1MAPTRAB9AKMT2AABCG2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-103923025-A | Click chemistry based chalcone derivatives as well as preparation method and application | XINJIANG TECH INST PHYSICS CAS | 2014-07-16 | — | — | CN | claimed |
| CN-103923025-A | Click chemistry based chalcone derivatives as well as preparation method and application | XINJIANG TECH INST PHYSICS CAS | 2014-07-16 | — | — | CN | disclosed |