Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 15/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL31025647 | 1.00 | PDK2 (0.37) | PDK2ALDH1A1TSHRNPC1MAPT | |
| SCHEMBL1552696 | 0.91 | PDK2 (0.45) | PDK2 | |
| SCHEMBL1553055 | 0.91 | PDK2 (0.45) | PDK2 | |
| SCHEMBL1553236 | 0.91 | PDK2 (0.45) | PDK2 | |
| SCHEMBL5954249 | 0.83 | ALDH1A1 (0.38) | PDK2ALDH1A1TSHRNPC1MAPT | |
| SCHEMBL10039377 | 0.82 | PDK2 (0.47) | PDK2SRD5A2 | |
| SCHEMBL14681786 | 0.82 | PDK2 (0.47) | PDK2SRD5A2 | |
| SCHEMBL5846588 | 0.80 | TSHR (0.50) | PDK2ALDH1A1TSHRMAPTSRD5A2 | |
| SCHEMBL5848239 | 0.78 | MAPT (0.59) | PDK2ALDH1A1NPC1MAPTRAB9A | |
| SCHEMBL6861448 | 0.78 | MAPT (0.59) | PDK2ALDH1A1NPC1MAPTRAB9A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20060006365-A1 | Spirobifluorene derivatives, their preparation and uses thereof | COVION ORGANIC SEMICONDUCTORS GMBH (DE) | 2006-01-12 | — | — | US | claimed |
| US-7557249-B2 | Spirobifluorene derivatives, their preparation and uses thereof | MERCK PATENT GMBH (DE) | 2009-07-07 | — | — | US | disclosed |
| US-20060006365-A1 | Spirobifluorene derivatives, their preparation and uses thereof | COVION ORGANIC SEMICONDUCTORS GMBH (DE) | 2006-01-12 | — | — | US | disclosed |