Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.59 |
| ▸ | MAPT | P10636 | 2/20 | 0.59 |
| ▸ | HTT | P42858 | 2/20 | 0.59 |
| ▸ | TSHR | P16473 | 2/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | HRH2 | P25021 | 1/20 | 0.53 |
| ▸ | HRH1 | P35367 | 1/20 | 0.53 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.53 |
| ▸ | KMO | O15229 | 2/20 | 0.51 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | LTA4H | P09960 | 1/20 | 0.48 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.48 |
| ▸ | USP2 | O75604 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL3744574 | 0.87 | TSHR (0.59) | TSHRKDM4EHRH2HRH1HRH3 | |
| SCHEMBL2308787 | 0.85 | HRH2 (0.53) | ALDH1A1MAPTHTTTSHRKDM4E | |
| SCHEMBL19125158 | 0.84 | SYK (0.54) | ALDH1A1MAPTHTTTSHRHRH2 | |
| SCHEMBL31125110 | 0.82 | HRH2 (0.53) | ALDH1A1MAPTHTTTSHRKDM4E | |
| SCHEMBL14578278 | 0.81 | LTA4H (0.70) | ALDH1A1MAPTHTTTSHRKDM4E | |
| SCHEMBL4270048 | 0.80 | TSHR (0.63) | ALDH1A1MAPTHTTTSHRKDM4E | |
| SCHEMBL2305590 | 0.80 | CYP1A2 (0.58) | ALDH1A1MAPTTSHRKDM4EHRH2 | |
| SCHEMBL6213205 | 0.80 | TSHR (0.66) | ALDH1A1MAPTHTTTSHRKDM4E | |
| SCHEMBL424774 | 0.79 | HRH3 (0.79) | ALDH1A1TSHRKDM4EHRH2HRH1 | |
| SCHEMBL5692458 | 0.78 | ALDH1A1 (0.63) | ALDH1A1MAPTHTTTSHRKDM4E |
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-7834039-B2 | Oxadiazole compounds | ABBOTT LABORATORIES (US) | 2010-11-16 | — | — | US | disclosed |