Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.31 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.30 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL963683 | 0.76 | IDO1 (0.34) | ALDH1A1ADRA2BSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL19809461 | 0.68 | HSPA5 (0.46) | TSHR | |
| SCHEMBL5605432 | 0.67 | SLC6A4 (0.36) | ALDH1A1PTGS1TSHRSLC6A4KDM4E | |
| SCHEMBL8757020 | 0.66 | CYP3A4 (0.41) | ALDH1A1ADRA2BPTGS1TDP1CYP3A4 | |
| SCHEMBL4426628 | 0.65 | ALOX5 (0.33) | ALDH1A1ADRA2BPTGS1TDP1CYP3A4 | |
| SCHEMBL1031551 | 0.65 | MTNR1A (0.37) | ALDH1A1 | |
| SCHEMBL5188519 | 0.63 | CYP3A4 (0.42) | ALDH1A1ADRA2BPTGS1TDP1CYP3A4 | |
| SCHEMBL2488880 | 0.63 | ALDH1A1 (0.42) | ALDH1A1ADRA2BPTGS1TDP1CYP3A4 | |
| SCHEMBL18184999 | 0.63 | GABRA1 (0.39) | ALDH1A1ADRA2BPTGS1TDP1CYP3A4 | |
| SCHEMBL6706783 | 0.63 | SKP2 (0.31) | — |
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-1590389-A1 | EXPANDABLE MIXTURES THAT ARE DEVOID OF ISOCYANATES | Consortium für elektrochemische Industrie GmbH (DE) | 2005-11-02 | — | — | EP | disclosed |
| WO-2004083271-A1 | EXPANDABLE MIXTURES THAT ARE DEVOID OF ISOCYANATES | Consortium für elektrochemische Industrie GmbH (DE) | 2004-09-30 | — | — | WO | disclosed |