Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.58 |
| ▸ | GAA | P10253 | 1/20 | 0.58 |
| ▸ | MAPT | P10636 | 1/20 | 0.58 |
| ▸ | HPGD | P15428 | 1/20 | 0.58 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.58 |
| ▸ | TSHR | P16473 | 1/20 | 0.58 |
| ▸ | HTT | P42858 | 1/20 | 0.58 |
| ▸ | RAF1 | P04049 | 1/20 | 0.54 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.54 |
| ▸ | FLT1 | P17948 | 4/20 | 0.50 |
| ▸ | KDR | P35968 | 4/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | NAMPT | P43490 | 1/20 | 0.50 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.49 |
| ▸ | GRM4 | Q14833 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL14965562 | 0.91 | ALDH1A1 (0.58) | ALDH1A1GAAMAPTHPGDALOX15 | |
| SCHEMBL14965803 | 0.85 | MEN1 (0.64) | HTTNPC1RAB9ANAMPTMEN1 | |
| Hydrochloric Acid SCHEMBL31277724 | 0.84 | RAF1 (0.53) | ALDH1A1GAAMAPTHPGDALOX15 | |
| SCHEMBL14971140 | 0.82 | KMT2A (0.57) | GAAMAPTHPGDTSHRRAF1 | |
| SCHEMBL14965885 | 0.80 | NPC1 (0.55) | ALDH1A1GAAMAPTHPGDALOX15 | |
| SCHEMBL17448384 | 0.80 | P2RX1 (0.63) | ALDH1A1GAAMAPTHPGDALOX15 | |
| SCHEMBL2532524 | 0.79 | GRM4 (0.74) | ALDH1A1GAAMAPTHPGDALOX15 | |
| SCHEMBL14084016 | 0.76 | P2RX1 (0.51) | ALDH1A1GAAMAPTHPGDALOX15 | |
| SCHEMBL14965268 | 0.76 | MEN1 (0.64) | HTTNPC1RAB9AMEN1KMT2A | |
| SCHEMBL14083007 | 0.76 | NPC1 (0.57) | ALDH1A1GAAMAPTHPGDALOX15 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013072903-A1 | NITROIMIDAZOXADIAZOCINE COMPOUNDS | ITHEMBA PHARMACEUTICALS (PROPRIETARY) LIMITED (ZA) | 2013-05-23 | — | — | WO | disclosed |