Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | FASN | P49327 | 1/20 | 0.30 |
| ▸ | LSS | P48449 | 2/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.30 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| SCHEMBL8217229 | 1.00 | CYP1A2 (0.33) | CYP1A2MEN1HTTKMT2ATP53 | |
| SCHEMBL7733155 | 1.00 | CYP1A2 (0.33) | CYP1A2MEN1HTTKMT2ATP53 | |
| SCHEMBL8219139 | 0.99 | CYP1A2 (0.33) | CYP1A2MEN1HTTKMT2AALDH1A1 | |
| SCHEMBL7734417 | 0.99 | CYP1A2 (0.33) | CYP1A2MEN1HTTKMT2AALDH1A1 | |
| SCHEMBL7734420 | 0.99 | CYP1A2 (0.33) | CYP1A2MEN1HTTKMT2AALDH1A1 | |
| SCHEMBL8215423 | 0.90 | CYP1A2 (0.33) | CYP1A2MEN1HTTKMT2ATP53 | |
| SCHEMBL7733111 | 0.90 | CYP1A2 (0.33) | CYP1A2MEN1HTTKMT2ATP53 | |
| SCHEMBL7733128 | 0.90 | CYP1A2 (0.33) | CYP1A2MEN1HTTKMT2ATP53 | |
| SCHEMBL7733131 | 0.90 | CYP1A2 (0.33) | CYP1A2MEN1HTTKMT2ATP53 | |
| SCHEMBL7733116 | 0.90 | CYP1A2 (0.33) | CYP1A2MEN1HTTKMT2ATP53 |
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-0929508-B1 | LIQUID CRYSTALLINE (E,E)-BUTADIENE COMPOUNDS AND MIXTURES AND DEVICES CONTAINING SUCH COMPOUNDS | QINETIQ LTD (GB) | 2002-03-20 | — | — | EP | disclosed |