Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | IAPP | P10997 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.33 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Naphthalene SCHEMBL27762368 | 0.84 | TDP1 (0.56) | TDP1SMN1; SMN2NPC1ALDH1A1RAB9A | |
| Anthracene SCHEMBL27589703 | 0.79 | ALDH1A1 (0.56) | TDP1SMN1; SMN2NPC1ALDH1A1RAB9A | |
| Acetic Acid SCHEMBL7032004 | 0.79 | CES2 (0.41) | TDP1SMN1; SMN2ALDH1A1CES2CES1 | |
| Butane SCHEMBL10606340 | 0.79 | CYP2A6 (0.37) | TDP1SMN1; SMN2NPC1ALDH1A1RAB9A | |
| SCHEMBL4121239 | 0.77 | FLT3 (0.35) | ALDH1A1CES2CES1MEN1KMT2A | |
| Propionaldehyde SCHEMBL28030448 | 0.76 | ALDH1A1 (0.41) | TDP1ALDH1A1LMNAL3MBTL1TSHR | |
| SCHEMBL240390 | 0.75 | — | — | |
| SCHEMBL7167764 | 0.75 | CYP2A6 (0.50) | TDP1ALDH1A1LMNAMAPTL3MBTL1 | |
| SCHEMBL8020 | 0.75 | — | — | |
| SCHEMBL28217715 | 0.74 | TDP1 (0.43) | TDP1SMN1; SMN2NPC1ALDH1A1RAB9A |
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-104918694-B | Essential Oil Encapsulation | 奥古斯特科勒纸厂欧洲公司 | 2017-11-03 | — | — | CN | disclosed |
| CN-104918694-A | Essential Oil Encapsulation | KOEHLER AUGUST PAPIERFAB | 2015-09-16 | — | — | CN | disclosed |