Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRD5A2 | P31213 | 2/20 | 0.42 |
| ▸ | HCAR3 | P49019 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | ADH5 | P11766 | 1/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.38 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.38 |
| ▸ | P4HB | P07237 | 1/20 | 0.38 |
| ▸ | RXRA | P19793 | 3/20 | 0.37 |
| ▸ | RXRB | P28702 | 3/20 | 0.37 |
| ▸ | RXRG | P48443 | 3/20 | 0.37 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.37 |
| ▸ | RARA | P10276 | 4/20 | 0.37 |
| ▸ | RARB | P10826 | 4/20 | 0.37 |
| ▸ | RARG | P13631 | 4/20 | 0.37 |
| ▸ | AR | P10275 | 1/20 | 0.37 |
| ▸ | TTR | P02766 | 1/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6533319 | 0.87 | HCAR3 (0.41) | SRD5A2HCAR3ALDH1A1ADH5AKR1C3 | |
| SCHEMBL3529075 | 0.83 | HCAR3 (0.55) | SRD5A2HCAR3ADH5AKR1C3AKR1C2 | |
| SCHEMBL3529077 | 0.78 | HCAR3 (0.46) | SRD5A2HCAR3ADH5AKR1C3AKR1C2 | |
| SCHEMBL16121258 | 0.74 | ACE2 (0.53) | SRD5A2ALDH1A1ADH5AKR1C3AKR1C2 | |
| SCHEMBL7470554 | 0.74 | ALDH1A1 (0.53) | ALDH1A1AKR1C3AKR1C2AR | |
| SCHEMBL6509894 | 0.73 | TRPV4 (0.43) | P4HBMRGPRX4AR | |
| SCHEMBL31319449 | 0.73 | RXRA (0.48) | SRD5A2ADH5P4HBRXRARXRB | |
| SCHEMBL827082 | 0.73 | RXRA (0.48) | SRD5A2ADH5P4HBRXRARXRB | |
| SCHEMBL18373540 | 0.72 | HCAR3 (0.57) | HCAR3ALDH1A1RXRARXRBRXRG | |
| SCHEMBL336261 | 0.71 | ADH5 (0.54) | SRD5A2ADH5AKR1C3AKR1C2P4HB |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6852755-B1 | Nitrogen mustard compounds and prodrugs therefor | CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) | 2005-02-08 | — | — | US | disclosed |
| EP-1165493-B1 | NITROGEN MUSTARD COMPOUNDS AND PRODRUGS THEREFOR | CANCER REC TECH LTD (GB) | 2005-01-19 | — | — | EP | disclosed |
| EP-1165493-A1 | NITROGEN MUSTARD COMPOUNDS AND PRODRUGS THEREFOR | CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) | 2002-01-02 | — | — | EP | disclosed |
| WO-2000058271-A1 | NITROGEN MUSTARD COMPOUNDS AND PRODRUGS THEREFOR | CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) | 2000-10-05 | — | — | WO | disclosed |