Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.57 |
| ▸ | MEN1 | O00255 | 6/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.56 |
| ▸ | RAB9A | P51151 | 4/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | USP2 | O75604 | 2/20 | 0.54 |
| ▸ | GAA | P10253 | 2/20 | 0.54 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.51 |
| ▸ | PKM | P14618 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL12451637 | 0.86 | HSD17B3 (0.68) | NPC1TDP1MEN1KMT2ARAB9A | |
| SCHEMBL5969658 | 0.83 | KMT2A (0.59) | NPC1TDP1MEN1KMT2ARAB9A | |
| SCHEMBL10330392 | 0.83 | RAB9A (0.61) | NPC1TDP1MEN1KMT2ARAB9A | |
| SCHEMBL19002396 | 0.82 | HSD17B3 (0.70) | NPC1TDP1MEN1KMT2ARAB9A | |
| SCHEMBL13480888 | 0.81 | HSD17B3 (0.73) | NPC1TDP1MEN1KMT2ARAB9A | |
| SCHEMBL28645964 | 0.80 | HSD17B3 (0.47) | ALDH1A1GAAHSD17B3 | |
| SCHEMBL28160720 | 0.80 | ALDH1A1 (0.58) | NPC1MEN1KMT2ARAB9ASMN1; SMN2 | |
| SCHEMBL3868315 | 0.80 | HSD17B3 (0.73) | KMT2AALDH1A1GAAHSD17B10HSD17B3 | |
| SCHEMBL67779 | 0.80 | CYP2D6 (0.72) | NPC1RAB9AALDH1A1HSD17B10HPGD | |
| SCHEMBL29443248 | 0.80 | CYP2D6 (0.72) | NPC1RAB9AALDH1A1HSD17B10HPGD |
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-2085394-B1 | Metronidazole derivatives as antiparasitic agents | UNIV JORDAN (JO) | 2012-06-06 | — | — | EP | disclosed |
| EP-2085394-A2 | Metronidazole derivatives as antiparasitic agents | Legal Affairs Office University of Jordan (JO) | 2009-08-05 | — | — | EP | disclosed |