Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.50 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.50 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.49 |
| ▸ | CDC25A | P30304 | 9/20 | 0.49 |
| ▸ | CES1 | P23141 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | PABPC1 | P11940 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL11548699 | 0.98 | CDC25A (0.51) | ALDH1A1ALDH2ALDH3A1CYP1B1CDC25A | |
| SCHEMBL19351938 | 0.98 | CDC25A (0.51) | ALDH1A1ALDH2ALDH3A1CYP1B1CDC25A | |
| SCHEMBL17510028 | 0.89 | CYP1B1 (0.52) | ALDH1A1CYP1B1MEN1MAPTKMT2A | |
| SCHEMBL9425173 | 0.83 | ALDH1A1 (0.51) | ALDH1A1ALDH2ALDH3A1CDC25ACES1 | |
| SCHEMBL2420623 | 0.82 | PTGS1 (0.52) | ALDH1A1ALDH2ALDH3A1CDC25ACES1 | |
| SCHEMBL14673147 | 0.82 | PTGS1 (0.52) | ALDH1A1ALDH2ALDH3A1CDC25ACES1 | |
| SCHEMBL17510004 | 0.82 | CYP1B1 (0.68) | ALDH1A1CYP1B1MEN1MAPTKMT2A | |
| SCHEMBL17146888 | 0.82 | PTGS1 (0.52) | ALDH1A1ALDH2ALDH3A1CDC25ACES1 | |
| SCHEMBL11068602 | 0.82 | ALDH1A1 (0.54) | ALDH1A1ALDH2ALDH3A1CDC25ACES1 | |
| SCHEMBL1501455 | 0.82 | DRD2 (0.50) | ALDH1A1ALDH2ALDH3A1CDC25ACES1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4167638-A | Process for production of 8-NHR quinolines | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) | 1979-09-11 | — | — | US | disclosed |