Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.48 |
| ▸ | MAPT | P10636 | 6/20 | 0.48 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.48 |
| ▸ | GAA | P10253 | 4/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.47 |
| ▸ | AGTR1 | P30556 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | CASP3 | P42574 | 1/20 | 0.44 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.44 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.44 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.44 |
| ▸ | PRSS12 | P56730 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4952090 | 0.88 | ALDH1A1 (0.55) | OPRM1ALDH1A1MAPTGAAPKM | |
| SCHEMBL4947113 | 0.88 | SMN1; SMN2 (0.51) | OPRM1ALDH1A1MAPTALOX12GAA | |
| SCHEMBL4951973 | 0.86 | GAA (0.44) | OPRM1ALDH1A1MAPTGAAPKM | |
| SCHEMBL4947929 | 0.83 | ALDH1A1 (0.47) | OPRM1ALDH1A1MAPTGAAKMT2A | |
| SCHEMBL15296737 | 0.78 | OPRM1 (0.49) | OPRM1ALDH1A1MAPTGAAPKM | |
| SCHEMBL4941117 | 0.77 | ROCK2 (0.53) | ALDH1A1MAPTGAAKMT2AMEN1 | |
| SCHEMBL14597973 | 0.75 | NPC1 (0.58) | ALDH1A1MAPTALOX12KMT2AMEN1 | |
| SCHEMBL3231208 | 0.75 | ALDH1A1 (0.68) | ALDH1A1MAPTALOX12GAAKMT2A | |
| SCHEMBL22492808 | 0.74 | GAA (0.50) | OPRM1ALDH1A1MAPTGAAPKM | |
| SCHEMBL17206346 | 0.74 | ALDH1A1 (0.74) | ALDH1A1MAPTALOX12KMT2AMEN1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7435750-B2 | Method of using substituted 3-aryl-5-aryl-[1,2,4]-oxadiazoles and analogs as activators of caspases and inducers of apoptosis and the use thereof | CYTOVIA, INC. (US) | 2008-10-14 | — | — | US | disclosed |