Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | MTNR1A | P48039 | 4/20 | 0.44 |
| ▸ | MTNR1B | P49286 | 4/20 | 0.44 |
| ▸ | CA1 | P00915 | 3/20 | 0.42 |
| ▸ | CA2 | P00918 | 3/20 | 0.42 |
| ▸ | ACHE | P22303 | 3/20 | 0.42 |
| ▸ | DRD2 | P14416 | 4/20 | 0.40 |
| ▸ | DRD3 | P35462 | 4/20 | 0.40 |
| ▸ | DRD4 | P21917 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | ACACB | O00763 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.37 |
| ▸ | ABHD6 | Q9BV23 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 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 | |
|---|---|---|---|---|
| SCHEMBL20096622 | 1.00 | CYP1A2 (0.46) | CYP1A2MTNR1AMTNR1BCA1CA2 | |
| SCHEMBL20096615 | 0.89 | CYP1A2 (0.49) | CYP1A2MTNR1AMTNR1BCA1CA2 | |
| SCHEMBL30967925 | 0.87 | KMT2A (0.44) | CYP1A2MTNR1AMTNR1BCA1CA2 | |
| SCHEMBL4013407 | 0.87 | KMT2A (0.44) | CYP1A2MTNR1AMTNR1BCA1CA2 | |
| SCHEMBL8074265 | 0.83 | MTNR1A (0.64) | CYP1A2MTNR1AMTNR1BCA1CA2 | |
| SCHEMBL6819517 | 0.83 | MTNR1A (0.64) | CYP1A2MTNR1AMTNR1BCA1CA2 | |
| SCHEMBL20132805 | 0.82 | DRD2 (0.44) | MTNR1AMTNR1BCA1CA2ACHE | |
| SCHEMBL4432302 | 0.79 | MTNR1A (0.53) | MTNR1AMTNR1BKMT2A | |
| SCHEMBL29882799 | 0.79 | MTNR1A (0.53) | MTNR1AMTNR1BKMT2A | |
| SCHEMBL7919875 | 0.75 | MTNR1A (0.43) | CYP1A2MTNR1AMTNR1BCA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010042473-A1 | BIARYL SPIROAMINOOXAZOLINE ANALOGUES AS ALPHA2C ADRENERGIC RECEPTOR MODULATORS | SCHERING CORPORATION (US) | 2010-04-15 | — | — | WO | disclosed |
| WO-2010042475-A1 | SPIROAMINOOXAZOLINE ANALOGUES AS ALPHA2C ADRENERGIC RECEPTOR MODULATORS | SCHERING CORPORATION (US) | 2010-04-15 | — | — | WO | disclosed |