Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | HTR5A | P47898 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 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 | |
|---|---|---|---|---|
| SCHEMBL319418 | 0.98 | CYP2A6 (0.35) | CA1CA2CYP1A2CYP2A6ALDH1A1 | |
| SCHEMBL27653362 | 0.96 | CYP1A2 (0.33) | CA1CA2CYP1A2CYP2A6ALDH1A1 | |
| SCHEMBL29767630 | 0.80 | HTR7 (0.38) | CA1CA2CYP1A2ALDH1A1HPGD | |
| SCHEMBL5344329 | 0.80 | HTR7 (0.38) | CA1CA2CYP1A2ALDH1A1HPGD | |
| SCHEMBL5344967 | 0.80 | MYC (0.37) | CA1CA2CA7CA9HTR5A | |
| SCHEMBL28424456 | 0.79 | HTR7 (0.37) | CA1CA2CYP1A2ALDH1A1HPGD | |
| SCHEMBL5344283 | 0.79 | CNR2 (0.33) | ALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL1923295 | 0.78 | CYP1A2 (0.33) | CA1CA2CYP1A2CYP2A6ALDH1A1 | |
| SCHEMBL19390301 | 0.77 | ACHE (0.33) | CA1CA2CYP1A2CYP2A6ALDH1A1 | |
| SCHEMBL10357346 | 0.75 | TSHR (0.41) | CYP1A2CYP2A6ALDH1A1HPGDTSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-1049704-B1 | BRIDGED METALLOCENES, PREPARATION, USE IN CATALYTIC SYSTEMS | BASELL POLYOLEFINE GMBH (DE) | 2005-07-27 | — | — | EP | disclosed |