Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | TYR | P14679 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | HSPA5 | P11021 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2A6 | P11509 | 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 | |
|---|---|---|---|---|
| SCHEMBL8634811 | 0.83 | ALDH1A1 (0.36) | ALDH1A1CA2POLBTYRSMN1; SMN2 | |
| SCHEMBL14264168 | 0.78 | ALDH1A1 (0.35) | ALDH1A1CA2POLBTYRSMN1; SMN2 | |
| SCHEMBL5196643 | 0.78 | SMN1; SMN2 (0.43) | ALDH1A1CA2POLBTYRSMN1; SMN2 | |
| SCHEMBL11056754 | 0.76 | SMN1; SMN2 (0.42) | ALDH1A1CA2POLBTYRSMN1; SMN2 | |
| SCHEMBL8658647 | 0.76 | SMN1; SMN2 (0.36) | ALDH1A1CA2POLBTYRSMN1; SMN2 | |
| SCHEMBL11494221 | 0.76 | ALDH1A1 (0.33) | ALDH1A1CA2POLBTYRSMN1; SMN2 | |
| SCHEMBL11270167 | 0.75 | SMN1; SMN2 (0.45) | ALDH1A1CA2POLBTYRSMN1; SMN2 | |
| SCHEMBL8630837 | 0.75 | SLC6A2 (0.31) | — | |
| SCHEMBL13955911 | 0.74 | PPARG (0.35) | SMN1; SMN2CYP2D6HSPA5 | |
| SCHEMBL11300513 | 0.73 | ALDH1A1 (0.39) | ALDH1A1CA2POLBTYRSMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5712403-A | CATALYST | MITSUBISHI CHEMICAL CORPORATION (JP) | 1998-01-27 | — | — | US | disclosed |
| US-5600032-A | OLIGOMERIZATION OF A CONJUGATED ALKADIENE IN PRESENCE OFPALLADIUM, PHOSPHORUS COMPLEX | MITSUBISHI CHEMICAL CORPORATION (JP) | 1997-02-04 | — | — | US | disclosed |