Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SHBG | P04278 | 2/20 | 0.55 |
| ▸ | EPHX1 | P07099 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | CPN1 | P15169 | 1/20 | 0.31 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8330847 | 0.91 | SHBG (0.61) | SHBGEPHX1ALDH1A1SMN1; SMN2CYP2C9 | |
| SCHEMBL16732011 | 0.89 | SHBG (0.58) | SHBGEPHX1ALDH1A1SMN1; SMN2CYP2C9 | |
| SCHEMBL11226733 | 0.81 | SHBG (0.50) | SHBGALDH1A1TSHRL3MBTL1KDM4E | |
| SCHEMBL11070281 | 0.81 | SHBG (0.50) | SHBGALDH1A1TSHRL3MBTL1KDM4E | |
| SCHEMBL10646074 | 0.78 | SHBG (0.59) | SHBGEPHX1ALDH1A1SMN1; SMN2CYP2C9 | |
| SCHEMBL1227604 | 0.78 | SHBG (0.59) | SHBGEPHX1ALDH1A1SMN1; SMN2CYP2C9 | |
| SCHEMBL8330418 | 0.77 | SHBG (0.44) | SHBGEPHX1ALDH1A1SMN1; SMN2TSHR | |
| SCHEMBL288891 | 0.76 | SHBG (0.57) | SHBGEPHX1ALDH1A1SMN1; SMN2CYP2C9 | |
| SCHEMBL28758251 | 0.76 | SHBG (0.57) | SHBGEPHX1ALDH1A1SMN1; SMN2CYP2C9 | |
| SCHEMBL16732332 | 0.75 | SHBG (0.55) | SHBGEPHX1ALDH1A1SMN1; SMN2TSHR |
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-0506478-B1 | Piperidine derivatives | LILLY CO ELI (US) | 1997-09-03 | — | — | EP | disclosed |
| US-5250542-A | Prevention of side effects induced by narcotics used as analgesics such as constipation, nausea and vomiting; 1-carboxyalkyl-4-methyl-4-(3-oxyphenyl)piperidines such as alvimopan | ELI LILLY AND COMPANY (US) | 1993-10-05 | — | — | US | disclosed |
| EP-0506478-A1 | Piperidine derivatives | ELI LILLY AND COMPANY (US) | 1992-09-30 | — | — | EP | disclosed |