Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRA | P10827 | 8/20 | 0.64 |
| ▸ | THRB | P10828 | 8/20 | 0.64 |
| ▸ | NPC1 | O15118 | 2/20 | 0.64 |
| ▸ | RAB9A | P51151 | 2/20 | 0.64 |
| ▸ | CASP3 | P42574 | 1/20 | 0.64 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.64 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.64 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.64 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.64 |
| ▸ | DPP4 | P27487 | 1/20 | 0.59 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.59 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.58 |
| ▸ | RARB | P10826 | 1/20 | 0.58 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.54 |
| ▸ | PLK1 | P53350 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL28013318 | 0.90 | L3MBTL1 (0.72) | THRATHRBNPC1RAB9ACASP3 | |
| SCHEMBL12600892 | 0.88 | NPC1 (0.66) | THRATHRBNPC1RAB9ACASP3 | |
| Butylbenzyl SCHEMBL8119801 | 0.88 | L3MBTL1 (0.69) | THRATHRBNPC1RAB9ACASP3 | |
| SCHEMBL30089476 | 0.88 | THRA (0.70) | THRATHRBL3MBTL1RARBHAO1 | |
| SCHEMBL13746080 | 0.87 | ALDH1A1 (0.64) | THRATHRBNPC1RAB9ACASP3 | |
| SCHEMBL12065203 | 0.86 | NPC1 (0.68) | THRATHRBNPC1RAB9ACASP3 | |
| SCHEMBL83484 | 0.86 | THRA (0.68) | THRATHRBL3MBTL1RARBHAO1 | |
| SCHEMBL7813104 | 0.85 | L3MBTL1 (0.81) | THRATHRBL3MBTL1RARBHAO1 | |
| SCHEMBL7638853 | 0.85 | TRPV1 (0.65) | THRATHRBNPC1RAB9ACASP3 | |
| SCHEMBL28129580 | 0.84 | RARB (0.60) | THRATHRBL3MBTL1RARBHAO1 |
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-104557500-B | A kind of method of synthetic alpha-alkyl ketone | NANJING UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) | 2016-05-18 | — | — | CN | disclosed |
| CN-104557500-A | Method for synthesizing alpha-alkyl ketone | UNIV NANJING SCIENCE & TECH | 2015-04-29 | — | — | CN | disclosed |