Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 5/20 | 0.44 |
| ▸ | RAB9A | P51151 | 5/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 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 |
| ▸ | IDO1 | P14902 | 1/20 | 0.43 |
| ▸ | METAP2 | P50579 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL741523 | 0.76 | IDO1 (0.44) | SCN9ANPC1RAB9ASMN1; SMN2IDO1 | |
| SCHEMBL7200126 | 0.76 | SCN9A (0.47) | SCN9AIDO1EDNRBEDNRA | |
| SCHEMBL21054847 | 0.76 | ALDH1A1 (0.46) | SCN9ANPC1RAB9ASMN1; SMN2IDO1 | |
| SCHEMBL6205082 | 0.76 | SCN9A (0.47) | SCN9ANPC1RAB9ASMN1; SMN2CASP3 | |
| SCHEMBL5650569 | 0.76 | SCN9A (0.44) | SCN9ANPC1RAB9ASMN1; SMN2CASP3 | |
| SCHEMBL18543166 | 0.76 | SCN9A (0.44) | SCN9ANPC1RAB9ASMN1; SMN2IDO1 | |
| SCHEMBL1251660 | 0.76 | SCN9A (0.41) | SCN9ASMN1; SMN2CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL6520414 | 0.74 | ESR2 (0.58) | ALDH1A1MEN1MAPTKMT2AATM | |
| SCHEMBL7771560 | 0.73 | SCN9A (0.45) | SCN9ANPC1SMN1; SMN2ALDH1A1HSD17B10 | |
| SCHEMBL14894067 | 0.72 | DPP4 (0.46) | SCN9AEDNRBEDNRA |
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-8852755-B2 | Oxadiazole metallic complexes and their electronic and opto-electronic applications | MERCK PATENT GMBH (DE) | 2014-10-07 | — | — | US | disclosed |