Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.40 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.40 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.37 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6041511 | 0.95 | TAAR1 (0.42) | TAAR1ALDH1A1TSHRGAAMAPK1 | |
| SCHEMBL8055385 | 0.87 | ALDH1A1 (0.43) | TAAR1ALDH1A1TSHRGAAMAPK1 | |
| SCHEMBL8906376 | 0.82 | TAAR1 (0.41) | TAAR1ALDH1A1TSHRGAAMAPK1 | |
| SCHEMBL5358230 | 0.81 | ALDH1A1 (0.49) | TAAR1ALDH1A1TSHRGAAMAPK1 | |
| SCHEMBL5935764 | 0.81 | ALDH1A1 (0.49) | TAAR1ALDH1A1TSHRGAAMAPK1 | |
| SCHEMBL20912419 | 0.80 | NPC1 (0.58) | ALDH1A1TSHRSLC1A3SLC1A2SLC1A1 | |
| SCHEMBL8905219 | 0.80 | SLC1A3 (0.44) | TAAR1ALDH1A1TSHRGAAMAPK1 | |
| SCHEMBL13419906 | 0.79 | NPC1 (0.57) | ALDH1A1TSHRSLC1A3SLC1A2SLC1A1 | |
| SCHEMBL8904835 | 0.79 | TSHR (0.50) | TAAR1ALDH1A1TSHRNPC1L3MBTL1 | |
| SCHEMBL20912424 | 0.78 | NPC1 (0.56) | ALDH1A1TSHRSLC1A3SLC1A2SLC1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5659065-A | CHEMICAL INTERMEDIATES FOR MEDICINAL ACTIVE AGENTS | NOVARTIS CORPORATION (US) | 1997-08-19 | — | — | US | disclosed |
| EP-0678500-A1 | Alpha-amino alkanoic acids and reduction products as intermediates in the preparation of renin inhibitors | CIBA-GEIGY AG (CH) | 1995-10-25 | — | — | EP | disclosed |