Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Cyclophosphamide Anhydrous. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSR known ✓ | P00390 | 1/20 | 0.57 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.60 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.60 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.57 |
| ▸ | BLM | P54132 | 2/20 | 0.57 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.57 |
| ▸ | MEN1 | O00255 | 1/20 | 0.57 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.57 |
| ▸ | TSHR | P16473 | 1/20 | 0.57 |
| ▸ | HTT | P42858 | 1/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.57 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.40 |
| ▸ | PDE4A | P27815 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | CRYZ | Q08257 | 1/20 | 0.31 |
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 | 0.84 | ADRA2A (0.64) | NPSR1KDM4EALOX15MAPK1ALDH1A1 | |
| Semustine SCHEMBL15569770 | 0.80 | ADRA2A (0.65) | NPSR1KDM4EALOX15MAPK1ALDH1A1 | |
| Cyclophosphamide Anhydrous SCHEMBL4346 | 0.78 | NPSR1 (1.00) | NPSR1KDM4EALOX15MAPK1CRYZ | |
| Cyclophosphamide Anhydrous SCHEMBL5328735 | 0.78 | NPSR1 (1.00) | NPSR1KDM4EALOX15MAPK1CRYZ | |
| Cyclophosphamide Anhydrous SCHEMBL7304 | 0.78 | NPSR1 (1.00) | NPSR1KDM4EALOX15MAPK1CRYZ | |
| Cyclophosphamide Anhydrous SCHEMBL14192809 | 0.78 | NPSR1 (1.00) | NPSR1KDM4EALOX15MAPK1CRYZ | |
| Cyclophosphamide Anhydrous SCHEMBL28088100 | 0.78 | NPSR1 (1.00) | NPSR1KDM4EALOX15MAPK1CRYZ | |
| Cyclophosphamide Anhydrous SCHEMBL1285823 | 0.78 | NPSR1 (1.00) | NPSR1KDM4EALOX15MAPK1CRYZ | |
| Cyclophosphamide Anhydrous SCHEMBL20542636 | 0.78 | NPSR1 (1.00) | NPSR1KDM4EALOX15MAPK1CRYZ | |
| Cyclophosphamide Anhydrous SCHEMBL28291641 | 0.77 | NPSR1 (0.84) | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-RE39921-E1 | Chemical compounds | SMITHKLINE BEECHAM CORPORATION (US) | 2007-11-13 | — | — | US | claimed |
| US-6642240-B2 | Piperazine derivatives; antagonists of tachykinins, including substance P; 2-(4-fluoro-2-methyl-phenyl)piperazine-1-carboxylic acid (3,5-bis-trifluoromethyl-benzyl)methyl amide for example | SMITHKLINE BEECHAM CORPORATION | 2003-11-04 | — | — | US | claimed |
| EP-1071408-B1 | MICROPARTICLES FOR DRUG DELIVERY ACROSS MUCOSA AND THE BLOOD-BRAIN BARRIER | GASCO MARIA ROSA (IT) | 2005-09-07 | — | — | EP | disclosed |