Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 3/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | GBA1 | P04062 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA4 | P22748 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL7794846 | 1.00 | BACE1 (0.57) | BACE1KDM4EGBA1POLBNPC1 | |
| SCHEMBL10432986 | 0.84 | BACE1 (0.59) | BACE1KDM4EPOLBNPC1RAB9A | |
| SCHEMBL772867 | 0.79 | BACE1 (0.52) | BACE1KDM4EPOLBNPC1RAB9A | |
| SCHEMBL773404 | 0.79 | BACE1 (0.47) | BACE1RAB9ASMN1; SMN2CA1CA2 | |
| SCHEMBL4994097 | 0.78 | BACE1 (0.54) | BACE1KDM4EPOLBNPC1RAB9A | |
| SCHEMBL8817290 | 0.78 | BACE1 (0.53) | BACE1KDM4EPOLBNPC1RAB9A | |
| SCHEMBL2069185 | 0.75 | BACE1 (0.47) | BACE1KDM4EPOLBNPC1RAB9A | |
| SCHEMBL2069272 | 0.75 | BACE1 (0.47) | BACE1KDM4EPOLBNPC1RAB9A | |
| SCHEMBL773403 | 0.75 | MTNR1A (0.46) | KDM4ESMN1; SMN2ALDH1A1CA1CA2 | |
| SCHEMBL8857099 | 0.73 | MAOA (0.53) | BACE1ALDH1A1CA1CA2CA4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0764632-B1 | Selective beta3 adrenergic agonists | LILLY CO ELI (US) | 2001-07-25 | — | — | EP | disclosed |
| CN-1202106-A | Selective beta 3 adrenergic agonists | LILLY CO ELI (US) | 1998-12-16 | — | — | CN | disclosed |
| EP-0764632-A2 | Selective beta3 adrenergic agonists | ELI LILLY AND COMPANY (US) | 1997-03-26 | — | — | EP | disclosed |