Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A | P08913 | 2/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.65 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.65 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.53 |
| ▸ | PDE4A | P27815 | 1/20 | 0.53 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.33 |
| ▸ | GSR | P00390 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.32 |
| ▸ | CRYZ | Q08257 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Lomustine SCHEMBL168490 | 0.92 | ADRA2A (0.64) | ADRA2AALDH1A1SMN1; SMN2NPSR1PDE4A | |
| Semustine SCHEMBL4500 | 0.80 | ALDH1A1 (1.00) | ADRA2AALDH1A1SMN1; SMN2PDE4AADRA1A | |
| Semustine SCHEMBL4959160 | 0.80 | ALDH1A1 (1.00) | ADRA2AALDH1A1SMN1; SMN2PDE4AADRA1A | |
| Cyclophosphamide Anhydrous SCHEMBL5364682 | 0.80 | NPSR1 (0.61) | ADRA2AALDH1A1SMN1; SMN2NPSR1PDE4A | |
| Semustine SCHEMBL2350016 | 0.79 | ALDH1A1 (0.92) | ADRA2AALDH1A1SMN1; SMN2NPSR1PDE4A | |
| Semustine SCHEMBL28854924 | 0.79 | ALDH1A1 (0.97) | ADRA2AALDH1A1SMN1; SMN2PDE4AADRA1A | |
| Semustine SCHEMBL8980108 | 0.73 | ALDH1A1 (0.79) | ADRA2AALDH1A1SMN1; SMN2PDE4AADRA1A | |
| Fotemustine SCHEMBL20505097 | 0.73 | NPSR1 (0.48) | ADRA2AALDH1A1SMN1; SMN2NPSR1PDE4A | |
| Cyclophosphamide Anhydrous SCHEMBL14192809 | 0.73 | NPSR1 (1.00) | NPSR1KDM4EALOX15MAPK1CRYZ | |
| Cyclophosphamide Anhydrous SCHEMBL1285823 | 0.73 | NPSR1 (1.00) | NPSR1KDM4EALOX15MAPK1CRYZ |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3137447-A1 | INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF | Rgenix, Inc. (US) | 2017-03-08 | — | — | EP | disclosed |
| WO-2016176636-A1 | INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF | RGENIX, INC. (US) | 2016-11-03 | — | — | WO | disclosed |
| WO-2015168465-A1 | INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF | RGENIX, INC. (US) | 2015-11-05 | — | — | WO | disclosed |
| EP-2882496-A2 | TREATMENT AND DIAGNOSIS OF MELANOMA | The Rockefeller University (US) | 2015-06-17 | — | — | EP | disclosed |
| WO-2014028461-A2 | TREATMENT AND DIAGNOSIS OF MELANOMA | THE ROCKEFELLER UNIVERSITY (US) | 2014-02-20 | — | — | WO | disclosed |