Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.56 |
| ▸ | CES2 | O00748 | 1/20 | 0.52 |
| ▸ | CES1 | P23141 | 1/20 | 0.52 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | HSD11B1 | P28845 | 3/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 6/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | HSD11B2 | P80365 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
| ▸ | MGLL | Q99685 | 1/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL27502916 | 0.88 | CES2 (0.65) | TSHRCES2CES1HDAC8HDAC6 | |
| SCHEMBL993393 | 0.88 | CES2 (0.65) | TSHRCES2CES1HDAC8HDAC6 | |
| SCHEMBL9861947 | 0.88 | CES2 (0.65) | TSHRCES2CES1HDAC8HDAC6 | |
| SCHEMBL346017 | 0.88 | CES2 (0.65) | TSHRCES2CES1HDAC8HDAC6 | |
| SCHEMBL29264798 | 0.88 | CES2 (0.65) | TSHRCES2CES1HDAC8HDAC6 | |
| SCHEMBL31486636 | 0.88 | CES2 (0.65) | TSHRCES2CES1HDAC8HDAC6 | |
| SCHEMBL29264799 | 0.88 | CES2 (0.65) | TSHRCES2CES1HDAC8HDAC6 | |
| SCHEMBL6937404 | 0.88 | CES2 (0.65) | TSHRCES2CES1HDAC8HDAC6 | |
| SCHEMBL29264800 | 0.88 | CES2 (0.65) | TSHRCES2CES1HDAC8HDAC6 | |
| SCHEMBL27542869 | 0.88 | CES2 (0.65) | TSHRCES2CES1HDAC8HDAC6 |
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-101119957-A | Method for minimizing aldehyde-based impurities in a process stream | BASF AG (DE) | 2008-02-06 | — | — | CN | disclosed |