Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTNR1A | P48039 | 8/20 | 0.71 |
| ▸ | MTNR1B | P49286 | 8/20 | 0.71 |
| ▸ | CA1 | P00915 | 1/20 | 0.59 |
| ▸ | CA2 | P00918 | 1/20 | 0.59 |
| ▸ | ACHE | P22303 | 1/20 | 0.59 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.52 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.51 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL10357546 | 0.88 | CA1 (0.75) | MTNR1AMTNR1BCA1CA2ACHE | |
| SCHEMBL14591355 | 0.85 | MTNR1A (0.71) | MTNR1AMTNR1BCA1CA2ACHE | |
| SCHEMBL14591350 | 0.84 | MTNR1A (0.69) | MTNR1AMTNR1BCA1CA2ACHE | |
| SCHEMBL3919777 | 0.83 | MTNR1A (1.00) | MTNR1AMTNR1BCA1CA2ACHE | |
| SCHEMBL8894457 | 0.81 | CHRM3 (0.58) | CA1CA2ACHECHRM3CYP1A2 | |
| SCHEMBL1970411 | 0.80 | MTNR1A (1.00) | MTNR1AMTNR1BCA1CA2 | |
| SCHEMBL1970413 | 0.80 | MTNR1A (1.00) | MTNR1AMTNR1BCA1CA2 | |
| SCHEMBL7031816 | 0.79 | MTNR1A (0.62) | MTNR1AMTNR1BCYP1A2MAPTCYP2C9 | |
| SCHEMBL7031820 | 0.79 | MTNR1A (0.62) | MTNR1AMTNR1BCYP1A2MAPTCYP2C9 | |
| SCHEMBL27636731 | 0.78 | CHRM3 (0.54) | CA1CA2ACHECHRM3CYP1A2 |
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-0617618-A1 | ARYL-TRIFLATES AND RELATED COMPOUNDS | WIKSTRÖM, Hakan Vilhelm (NL) | 1994-10-05 | — | — | EP | disclosed |
| WO-1993011761-A1 | ARYL-TRIFLATES AND RELATED COMPOUNDS | H. LUNDBECK A/S (DK) | 1993-06-24 | — | — | WO | disclosed |