Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | EPHX1 | P07099 | 6/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | ADH1B | P00325 | 2/20 | 0.39 |
| ▸ | ADH1C | P00326 | 2/20 | 0.39 |
| ▸ | ADH1A | P07327 | 2/20 | 0.39 |
| ▸ | CA12 | O43570 | 2/20 | 0.39 |
| ▸ | CA7 | P43166 | 2/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | ADH4 | P08319 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1762522 | 1.00 | ALDH1A1 (0.50) | ALDH1A1HSD17B10EPHX1CYP3A4NPC1 | |
| SCHEMBL28444462 | 0.80 | ALDH1A1 (0.50) | ALDH1A1HSD17B10EPHX1CYP3A4NPC1 | |
| SCHEMBL27634237 | 0.75 | — | — | |
| SCHEMBL5372240 | 0.75 | — | — | |
| SCHEMBL21958304 | 0.75 | ALDH1A1 (0.45) | ALDH1A1HSD17B10EPHX1CYP3A4NPC1 | |
| SCHEMBL21567116 | 0.75 | ALDH1A1 (0.45) | ALDH1A1HSD17B10EPHX1CYP3A4NPC1 | |
| SCHEMBL21958303 | 0.75 | ALDH1A1 (0.45) | ALDH1A1HSD17B10EPHX1CYP3A4NPC1 | |
| SCHEMBL7648803 | 0.75 | ALDH1A1 (0.39) | ALDH1A1HSD17B10EPHX1CYP3A4NPC1 | |
| SCHEMBL8712048 | 0.73 | ALDH1A1 (0.43) | ALDH1A1HSD17B10EPHX1CYP3A4NPC1 | |
| Hydrochloric Acid SCHEMBL4048732 | 0.73 | ALDH1A1 (0.43) | ALDH1A1HSD17B10EPHX1CYP3A4NPC1 |
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-103649027-B | Prepare the method for suberene | BASF SE (DE) | 2016-04-20 | — | — | CN | disclosed |