Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 3/20 | 0.42 |
| ▸ | CNR2 | P34972 | 1/20 | 0.42 |
| ▸ | GLS | O94925 | 3/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | CTSD | P07339 | 1/20 | 0.39 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.37 |
| ▸ | RORC | P51449 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CTSL | P07711 | 1/20 | 0.35 |
| ▸ | CTSB | P07858 | 1/20 | 0.35 |
| ▸ | CTSS | P25774 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 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 | |
|---|---|---|---|---|
| SCHEMBL4471126 | 0.83 | MCL1 (0.62) | MCL1CNR2ALDH1A1KDM4ECTSL | |
| SCHEMBL15651789 | 0.74 | CA1 (0.68) | MCL1CA12CA1CA2CA9 | |
| SCHEMBL5752289 | 0.72 | AOC2 (0.58) | CNR2GLSSIGMAR1ALDH1A1CYP3A4 | |
| SCHEMBL14820608 | 0.72 | HDAC6 (0.63) | CNR2GLSSIGMAR1ALDH1A1KDM4E | |
| SCHEMBL1632446 | 0.71 | LMNA (0.51) | CNR2GLSCTSDSIGMAR1ALDH1A1 | |
| SCHEMBL38662293 | 0.69 | GAA (0.67) | CA12CA1CA2CA9RORC | |
| SCHEMBL18868428 | 0.69 | ALDH1A1 (0.61) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL9142127 | 0.69 | MCL1 (0.62) | MCL1ALDH1A1KDM4ECTSLCTSB | |
| SCHEMBL4780769 | 0.69 | AKR1B1 (0.50) | MCL1CA12CA1CA2CA9 | |
| SCHEMBL780470 | 0.68 | HPGD (0.49) | CNR2GLSSIGMAR1ALDH1A1KDM4E |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008005954-A2 | TRYPHOSTIN-ANALOGS FOR THE TREATMENT OF CELL PROLIFERATIVE DISEASES | THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) | 2008-01-10 | — | — | WO | disclosed |