Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 3/20 | 0.59 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.59 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.58 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.58 |
| ▸ | NPC1 | O15118 | 5/20 | 0.57 |
| ▸ | RAB9A | P51151 | 5/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.57 |
| ▸ | HTT | P42858 | 2/20 | 0.57 |
| ▸ | MAPT | P10636 | 1/20 | 0.57 |
| ▸ | HTR1A | P08908 | 1/20 | 0.55 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.55 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.55 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.53 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.53 |
| ▸ | RELA | Q04206 | 2/20 | 0.53 |
| ▸ | TP53 | P04637 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | LTA4H | P09960 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL29823336 | 0.87 | SMN1; SMN2 (0.70) | S1PR1S1PR3NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL7958685 | 0.87 | NR1H4 (0.62) | NR1H4S1PR1S1PR3NPC1RAB9A | |
| SCHEMBL7294317 | 0.85 | NPC1 (0.61) | NR1H4S1PR1S1PR3NPC1RAB9A | |
| SCHEMBL7301094 | 0.83 | ACACB (0.51) | S1PR1S1PR3MCHR1RAB9AHTT | |
| SCHEMBL19968728 | 0.78 | S1PR1 (0.69) | NR1H4S1PR1S1PR3NPC1RAB9A | |
| SCHEMBL7302028 | 0.76 | ACACB (0.70) | S1PR1S1PR3NPC1RAB9AHTR1A | |
| SCHEMBL3061817 | 0.76 | NR1H4 (0.64) | NR1H4S1PR1S1PR3NPC1RAB9A | |
| SCHEMBL6697420 | 0.75 | NR1H4 (1.00) | NR1H4S1PR1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL7291752 | 0.75 | NR1H4 (1.00) | NR1H4S1PR1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL7962298 | 0.75 | NPC1 (0.64) | NR1H4S1PR1NPC1RAB9ASMN1; SMN2 |
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-0504574-B1 | 1,2,4-Oxadiazole derivatives having monoamine oxidase B enzyme-inhibitory activity and method for preparing same | WAKAMOTO PHARMA CO LTD (JP) | 1996-02-28 | — | — | EP | claimed |
| EP-0504574-B1 | 1,2,4-Oxadiazole derivatives having monoamine oxidase B enzyme-inhibitory activity and method for preparing same | WAKAMOTO PHARMA CO LTD (JP) | 1996-02-28 | — | — | EP | disclosed |