Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 2/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | MGLL | Q99685 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 2/20 | 0.30 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL8086642 | 0.91 | — | — | |
| SCHEMBL1079287 | 0.85 | PHGDH (0.31) | ALDH1A1ALDH2MGLLTP53 | |
| SCHEMBL7952884 | 0.75 | PHGDH (0.31) | ALDH1A1ALDH2MGLLTP53 | |
| SCHEMBL1096599 | 0.73 | — | — | |
| SCHEMBL21106637 | 0.70 | — | — | |
| SCHEMBL9195897 | 0.69 | — | — | |
| SCHEMBL6996893 | 0.66 | GPR84 (0.47) | ALDH1A1TP53 | |
| SCHEMBL11399453 | 0.65 | PHGDH (0.31) | ALDH1A1ALDH2MGLLTP53 | |
| SCHEMBL5747742 | 0.65 | — | — | |
| SCHEMBL12288885 | 0.64 | — | — |
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-0725637-B1 | PARENTERAL BUSULFAN FOR TREATMENT OF MALIGNANT DISEASE | UNIV TEXAS (US) | 2000-11-22 | — | — | EP | disclosed |
| US-5559148-A | Parenteral busulfan for treatment of malignant disease | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 1996-09-24 | — | — | US | disclosed |
| EP-0725637-A1 | PARENTERAL BUSULFAN FOR TREATMENT OF MALIGNANT DISEASE | THE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 1996-08-14 | — | — | EP | disclosed |
| US-5430057-A | Aqueous mixture with solvent; anticarcinogenic agents; leukemia, lymphoma | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 1995-07-04 | — | — | US | disclosed |
| WO-1995008991-A1 | PARENTERAL BUSULFAN FOR TREATMENT OF MALIGNANT DISEASE | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 1995-04-06 | — | — | WO | disclosed |