Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 1/20 | 0.37 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | TYR | P14679 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | CRHR1 | P34998 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL1156306 | 0.86 | CA2 (0.43) | GABRA1GABRB2CA2ALDH1A1TSHR | |
| SCHEMBL34511 | 0.80 | SELL (0.36) | ALDH1A1POLBSMN1; SMN2 | |
| SCHEMBL6678739 | 0.75 | DPP4 (0.35) | ALDH1A1TSHRCYP1A2 | |
| SCHEMBL1155762 | 0.72 | CYP2A6 (0.38) | CA2ALDH1A1TSHRPOLBTDP1 | |
| SCHEMBL6678441 | 0.71 | CYP1A2 (0.42) | ALDH1A1TSHRPOLBSMN1; SMN2MEN1 | |
| SCHEMBL6680158 | 0.70 | HRH3 (0.32) | ALDH1A1POLBSMN1; SMN2 | |
| SCHEMBL6677918 | 0.66 | — | — | |
| SCHEMBL6681602 | 0.66 | KDM4E (0.35) | ALDH1A1 | |
| SCHEMBL6678521 | 0.66 | C5AR1 (0.40) | ALDH1A1TSHRPOLBSMN1; SMN2MEN1 | |
| SCHEMBL1231645 | 0.65 | — | — |
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-2000078826-A1 | CATALYSTS | BOREALIS TECHNOLOGY OY (FI) | 2000-12-28 | — | — | WO | disclosed |