Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 2/20 | 0.41 |
| ▸ | CTSK | P43235 | 2/20 | 0.41 |
| ▸ | CTSB | P07858 | 1/20 | 0.41 |
| ▸ | F9 | P00740 | 2/20 | 0.40 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.39 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.39 |
| ▸ | RXRA | P19793 | 2/20 | 0.39 |
| ▸ | DHODH | Q02127 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | EGFR | P00533 | 1/20 | 0.38 |
| ▸ | MGLL | Q99685 | 1/20 | 0.37 |
| ▸ | AGXT | P21549 | 1/20 | 0.37 |
| ▸ | PTGES | O14684 | 1/20 | 0.36 |
| ▸ | RXRB | P28702 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.35 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.35 |
| ▸ | SHMT1 | P34896 | 1/20 | 0.35 |
| ▸ | SHMT2 | P34897 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL17894365 | 1.00 | CTSS (0.41) | CTSSCTSKCTSBF9NR1H2 | |
| SCHEMBL19639269 | 0.93 | CTSS (0.47) | CTSSCTSKCTSBHDAC1MGLL | |
| SCHEMBL19639365 | 0.92 | F9 (0.40) | CTSSCTSKCTSBF9NR1H2 | |
| SCHEMBL19639363 | 0.92 | F9 (0.40) | CTSSCTSKCTSBF9NR1H2 | |
| SCHEMBL19658012 | 0.85 | CTSS (0.46) | CTSSCTSKCTSBNR1H2NR1H3 | |
| SCHEMBL17894353 | 0.82 | CETP (0.40) | PTGES | |
| SCHEMBL15125603 | 0.78 | HDAC1 (0.44) | CTSSCTSKCTSBF9NR1H2 | |
| SCHEMBL15125640 | 0.78 | HDAC1 (0.44) | CTSSCTSKCTSBF9NR1H2 | |
| SCHEMBL16623135 | 0.76 | BCL2 (0.54) | CTSSCTSKCTSBRXRAHDAC1 | |
| SCHEMBL19639244 | 0.75 | MMP1 (0.40) | PTGES |
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-3240775-A2 | ANTIMICROBIAL COMPOUNDS, COMPOSITIONS AND METHODS | Swansea University (GB) | 2017-11-08 | — | — | EP | disclosed |
| WO-2016108045-A2 | ANTIMICROBIAL COMPOUNDS, COMPOSITIONS AND METHODS | SWANSEA UNIVERSITY (GB) | 2016-07-07 | — | — | WO | disclosed |