Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL29141574 | 0.78 | NR1H2 (0.34) | ALDH1A1TSHRESR1ESR2MAPT | |
| SCHEMBL28783197 | 0.75 | MAPK1 (0.34) | ALDH1A1TSHRESR1ESR2MAPT | |
| SCHEMBL3526796 | 0.72 | ESR1 (0.37) | ALDH1A1TSHRATMESR1ESR2 | |
| SCHEMBL31439754 | 0.69 | NR1H2 (0.41) | ALDH1A1TSHRESR1ESR2MAPT | |
| SCHEMBL453982 | 0.69 | NR1H2 (0.48) | ALDH1A1TSHRESR1ESR2MAPT | |
| SCHEMBL17798412 | 0.68 | ALDH1A1 (0.33) | ALDH1A1TSHRESR1ESR2MAPT | |
| SCHEMBL25221066 | 0.67 | ESR1 (0.30) | ESR1ESR2 | |
| SCHEMBL8523579 | 0.66 | CYP2C19 (0.40) | ALDH1A1TSHRMAPTCYP3A4CYP2C9 | |
| SCHEMBL2270938 | 0.65 | ALDH1A1 (0.31) | ALDH1A1TSHR | |
| SCHEMBL4530855 | 0.65 | NR1H2 (0.46) | ALDH1A1TSHRESR1ESR2MAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5017718-A | Metal carbonyl catalyst | SAGAMI CHEMICAL RESEARCH CENTER (JP) | 1991-05-21 | — | — | US | disclosed |
| EP-0115943-B1 | PROCESS FOR PREPARING POLYFLUOROALKYL-SUBSTITUTED COMPOUNDS | SAGAMI CHEMICAL RESEARCH CENTER (JP) | 1987-10-21 | — | — | EP | disclosed |
| EP-0115943-A2 | Process for preparing polyfluoroalkyl-substituted compounds | SAGAMI CHEMICAL RESEARCH CENTER (JP) | 1984-08-15 | — | — | EP | disclosed |