Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL20425505 | 1.00 | CYP1A2 (0.42) | CYP1A2SMN1; SMN2CYP2D6PKMNPSR1 | |
| SCHEMBL1937037 | 0.86 | CYP1A2 (0.44) | CYP1A2SMN1; SMN2CYP2D6PKMNPSR1 | |
| SCHEMBL28432379 | 0.84 | CYP1A2 (0.62) | CYP1A2SMN1; SMN2CYP2D6PKMNPSR1 | |
| SCHEMBL1936445 | 0.83 | PPARG (0.43) | CYP1A2SMN1; SMN2CYP2D6PKMNPSR1 | |
| SCHEMBL1935051 | 0.83 | ADRB2 (0.43) | CYP1A2SMN1; SMN2CYP2D6PKMNPSR1 | |
| SCHEMBL3468423 | 0.79 | ALOX5 (0.47) | CYP1A2SMN1; SMN2CYP2D6PKMNPSR1 | |
| SCHEMBL29213688 | 0.79 | ALOX5 (0.47) | CYP1A2SMN1; SMN2CYP2D6PKMNPSR1 | |
| SCHEMBL28989195 | 0.77 | CYP1A2 (0.47) | CYP1A2SMN1; SMN2CYP2D6PKMNPSR1 | |
| SCHEMBL1935792 | 0.76 | HRH3 (0.47) | KDM4EALDH1A1MEN1KMT2A | |
| SCHEMBL28617148 | 0.74 | MAPT (0.37) | CYP1A2SMN1; SMN2CYP2D6PKMNPSR1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2049118-A1 | MORPHOLINYL AND PYRROLIDINYL ANALOGS | SmithKline Beecham Corporation (US) | 2009-04-22 | — | — | EP | disclosed |
| WO-2008011551-A1 | MORPHOLINYL AND PYRROLIDINYL ANALOGS | SMITHKLINE BEECHAM CORPORATION (US) | 2008-01-24 | — | — | WO | disclosed |