Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLK1 | P53350 | 2/20 | 0.46 |
| ▸ | PLK2 | Q9NYY3 | 2/20 | 0.46 |
| ▸ | EEF2K | O00418 | 1/20 | 0.46 |
| ▸ | STAT3 | P40763 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | USP2 | O75604 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | BLM | P54132 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | PLIN1 | O60240 | 1/20 | 0.39 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.39 |
| ▸ | GSR | P00390 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| P-Xyloquinone SCHEMBL49964 | 0.82 | PLK1 (0.60) | PLK1PLK2EEF2KSTAT3MAPT | |
| SCHEMBL11245633 | 0.77 | EEF2K (0.37) | PLK1PLK2EEF2KSTAT3MAPT | |
| SCHEMBL10786651 | 0.74 | ERBB2 (0.45) | MAPTALDH1A1LMNAMEN1USP2 | |
| SCHEMBL14507718 | 0.71 | PLK1 (0.50) | PLK1PLK2EEF2KSTAT3MAPT | |
| SCHEMBL11240568 | 0.68 | TDP1 (0.39) | MAPTALDH1A1LMNAMEN1GAA | |
| SCHEMBL9011590 | 0.68 | — | — | |
| SCHEMBL3624714 | 0.68 | ALDH1A1 (0.50) | PLK1PLK2EEF2KSTAT3MAPT | |
| SCHEMBL754556 | 0.67 | EEF2K (0.46) | PLK1PLK2EEF2KSTAT3MAPT | |
| SCHEMBL7946964 | 0.67 | PLK1 (0.46) | PLK1PLK2EEF2KSTAT3MAPT | |
| Hydrochloric Acid SCHEMBL11650107 | 0.67 | MEN1 (0.38) | MAPTALDH1A1MEN1GAAMAPK1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017083719-A1 | TRANSITION METAL FREE METHODS OF SYNTHESIS OF BIARYL COMPOUNDS | WILLIAM MARSH RICE UNIVERSITY (US) | 2017-05-18 | — | — | WO | disclosed |
| US-4008043-A | Diphenylamines for dyeing keratinic fibers | L'OREAL (FR) | 1977-02-15 | — | — | US | disclosed |