Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | CRHBP | P24387 | 1/20 | 0.46 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.46 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | HSD11B1 | P28845 | 5/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6877661 | 0.91 | ALDH1A1 (0.52) | ALDH1A1HTTCRHBPCRHR2MCOLN3 | |
| SCHEMBL176523 | 0.91 | ALDH1A1 (0.52) | ALDH1A1HTTCRHBPCRHR2MCOLN3 | |
| Hydrochloric Acid SCHEMBL7936029 | 0.88 | ALDH1A1 (0.50) | ALDH1A1HTTCRHBPCRHR2MCOLN3 | |
| SCHEMBL7627478 | 0.88 | ALDH1A1 (0.50) | ALDH1A1HTTCRHBPCRHR2MCOLN3 | |
| SCHEMBL6290733 | 0.84 | ALDH1A1 (0.47) | ALDH1A1HTTCRHBPCRHR2MCOLN3 | |
| SCHEMBL6273763 | 0.82 | ALDH1A1 (0.46) | ALDH1A1HTTCRHBPCRHR2MCOLN3 | |
| Amantadine SCHEMBL8710832 | 0.80 | LMNA (0.56) | ALDH1A1HTTCRHBPCRHR2MCOLN3 | |
| SCHEMBL16038530 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL31074189 | 0.78 | — | — | |
| Trifluoroacetic Acid SCHEMBL6384678 | 0.77 | ALDH1A1 (0.42) | ALDH1A1HTTCRHBPCRHR2MCOLN3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019018185-A1 | ENANTIOMERICALLY PURE ADAMANTANE DERIVATIVES FOR THE TREATMENT OF FILOVIRUS INFECTION | ARISAN THERAPEUTICS INC. (US) | 2019-01-24 | — | — | WO | disclosed |
| CN-104693039-A | Adamantane amine derivative as well as preparation method and application of derivative | UNIV SUN YAT SEN | 2015-06-10 | — | — | CN | disclosed |