Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.41 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL74267 | 0.76 | TSHR (0.54) | ALDH1A1TSHRAOC3MEN1KMT2A | |
| SCHEMBL5962473 | 0.76 | TSHR (0.54) | ALDH1A1TSHRAOC3MEN1KMT2A | |
| SCHEMBL13153373 | 0.76 | TSHR (0.50) | ALDH1A1TSHRAOC3MEN1KMT2A | |
| SCHEMBL1640061 | 0.74 | TSHR (0.58) | ALDH1A1TSHRAOC3MEN1KMT2A | |
| SCHEMBL27258866 | 0.73 | ALDH1A1 (0.64) | ALDH1A1TSHRAOC3LMNAUSP2 | |
| SCHEMBL4540526 | 0.73 | TSHR (0.50) | ALDH1A1TSHRAOC3MEN1KMT2A | |
| SCHEMBL11038269 | 0.73 | ALDH1A1 (0.50) | ALDH1A1TSHRAOC3MEN1KMT2A | |
| SCHEMBL16051949 | 0.73 | ALDH1A1 (0.50) | ALDH1A1TSHRAOC3MEN1KMT2A | |
| SCHEMBL9872252 | 0.73 | RIPK1 (0.50) | ALDH1A1TSHRAOC3MEN1KMT2A | |
| SCHEMBL10709670 | 0.72 | TSHR (0.55) | ALDH1A1TSHRAOC3LMNAUSP2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101208334-B | Novel cyclic amines | HOFFMANN LA ROCHE | 2012-06-13 | — | — | CN | disclosed |
| CN-101611026-A | Preparation method of (3R,4R) -N- (4-chlorphenyl) -1- (2, 2-difluoroethyl) -N' - [ 2-fluoro-4- (2-oxo-1 (2H) -pyridyl) phenyl ] -3, 4-pyrrolidine dicarboxamide | HOFFMANN LA ROCHE (CH) | 2009-12-23 | — | — | CN | disclosed |
| CN-101208334-A | Novel cyclic amines | HOFFMANN LA ROCHE (CH) | 2008-06-25 | — | — | CN | disclosed |