Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR7 | P34969 | 5/20 | 0.41 |
| ▸ | TACR1 | P25103 | 1/20 | 0.40 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.40 |
| ▸ | CD274 | Q9NZQ7 | 7/20 | 0.39 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.39 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.39 |
| ▸ | PRKDC | P78527 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | DPP4 | P27487 | 1/20 | 0.37 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 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 | |
|---|---|---|---|---|
| SCHEMBL20360396 | 0.81 | ALDH1A1 (0.46) | HTR7PRKDCKDM4EALDH1A1TDP1 | |
| SCHEMBL20360705 | 0.79 | PRKDC (0.48) | HTR7PRKDCKDM4EALDH1A1TDP1 | |
| SCHEMBL336977 | 0.73 | TACR1 (0.62) | HTR7TACR1CHRNB2CHRNA4CD274 | |
| SCHEMBL9338655 | 0.70 | TACR1 (0.58) | HTR7TACR1CHRNB2CHRNA4CD274 | |
| SCHEMBL27844226 | 0.69 | CD274 (0.67) | TACR1CD274PDCD1 | |
| SCHEMBL8679174 | 0.67 | TACR1 (0.51) | HTR7TACR1CHRNB2CHRNA4CD274 | |
| SCHEMBL16390993 | 0.67 | TACR1 (0.64) | TACR1CHRNB2CHRNA4CD274CHRNB4 | |
| SCHEMBL10599800 | 0.67 | TACR1 (0.64) | TACR1CHRNB2CHRNA4CD274CHRNB4 | |
| SCHEMBL18181830 | 0.67 | TACR1 (0.48) | TACR1CHRNB2CHRNA4CD274ALDH1A1 | |
| SCHEMBL483515 | 0.67 | PTGS2 (0.52) | HTR7ALDH1A1L3MBTL1TSHR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101142181-B | Process for the preparation of enantiomerically pure 4-pyrrolidinophenylbenzyl ether derivatives | HOFFMANN LA ROCHE | 2011-05-04 | — | — | CN | disclosed |
| CN-101142181-A | Process for the preparation of enantiomerically pure 4-pyrrolidinophenylbenzyl ether derivatives | HOFFMANN LA ROCHE (CH) | 2008-03-12 | — | — | CN | disclosed |
| EP-1861362-A1 | METHOD FOR PREPARING ENANTIOMERICALLY PURE 4-PYRROLIDINOPHENYL, BENZYL, ETHER DERIVATIVES | F.HOFFMANN-LA ROCHE AG (CH) | 2007-12-05 | — | — | EP | disclosed |
| WO-2006097197-A1 | METHOD FOR PREPARING ENANTIOMERICALLY PURE 4-PYRROLIDINOPHENYL, BENZYL, ETHER DERIVATIVES | F.HOFFMANN-LA ROCHE AG (CH) | 2006-09-21 | — | — | WO | disclosed |