Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 12/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | CNR1 | P21554 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | BCHE | P06276 | 1/20 | 0.37 |
| ▸ | BACE1 | P56817 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.37 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.37 |
| ▸ | DRD3 | P35462 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4044662 | 0.80 | ABCB1 (0.39) | ABCB1KCNH2OPRM1MEN1KMT2A | |
| SCHEMBL4049170 | 0.78 | MPO (0.39) | ABCB1KCNH2OPRM1MEN1KMT2A | |
| SCHEMBL4038893 | 0.77 | SLC6A5 (0.39) | ABCB1KCNH2OPRM1MEN1KMT2A | |
| SCHEMBL4036513 | 0.76 | RPS6KB1 (0.40) | ABCB1KCNH2MEN1KMT2ACYP2D6 | |
| SCHEMBL4044904 | 0.74 | EPHX1 (0.51) | ABCB1CNR1BCHEKDM4ECYP2C19 | |
| SCHEMBL4043231 | 0.71 | CYP2C19 (0.36) | OPRM1MEN1KMT2ABCHECYP2D6 | |
| SCHEMBL5391447 | 0.70 | ABCB1 (0.46) | ABCB1KCNH2MEN1KMT2ACYP2D6 | |
| SCHEMBL4047555 | 0.70 | SIRT1 (0.38) | OPRM1CYP2D6ADRB2ADRB1HTR1A | |
| SCHEMBL4047002 | 0.70 | EPHX1 (0.42) | ABCB1MEN1KMT2A | |
| SCHEMBL4045031 | 0.69 | KDM1A (0.46) | MEN1KMT2ABCHEBACE1SLC6A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1546150-B1 | PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES | AMURA THERAPEUTICS LTD (GB) | 2009-03-04 | — | — | EP | claimed |
| EP-1463728-B1 | FUSED CYCLIC MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION | BRISTOL MYERS SQUIBB CO (US) | 2009-01-14 | — | — | EP | disclosed |
| EP-1651592-A2 | NOVEL DIBENZO[B,F]OXEPINE-10-CARBOXAMIDES AND PHARMACEUTICAL USES THEREOF | Novartis AG (CH) | 2006-05-03 | — | — | EP | disclosed |
| WO-2005014517-A2 | NOVEL DIBENZO[B,F]OXEPINE-10-CARBOXAMIDES AND PHARMACEUTICAL USES THEREOF | NOVARTIS AG (CH) | 2005-02-17 | — | — | WO | disclosed |