Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 6/20 | 0.45 |
| ▸ | RAB9A | P51151 | 5/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.45 |
| ▸ | NPC1 | O15118 | 4/20 | 0.45 |
| ▸ | MEN1 | O00255 | 4/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.43 |
| ▸ | RELA | Q04206 | 1/20 | 0.43 |
| ▸ | APP | P05067 | 4/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL906609 | 0.87 | CYP1A2 (0.59) | CYP1A2CYP3A4CYP2C19PDK1MAPT | |
| Hydrochlorthiazide SCHEMBL9735331 | 0.82 | CYP1A2 (0.51) | CYP1A2CYP3A4CYP2C19PDK1MAPT | |
| SCHEMBL26691830 | 0.79 | NPC1 (0.51) | CYP1A2CYP3A4CYP2C19PDK1MAPT | |
| SCHEMBL5857526 | 0.76 | NPC1 (0.54) | CYP1A2CYP3A4CYP2C19PDK1RAB9A | |
| SCHEMBL12336473 | 0.74 | CYP3A4 (0.60) | CYP1A2CYP3A4CYP2C19MAPTRAB9A | |
| SCHEMBL8125517 | 0.74 | APP (0.54) | CYP1A2CYP3A4CYP2C19PDK1MAPT | |
| SCHEMBL21412546 | 0.73 | CYP1A2 (0.59) | CYP1A2CYP3A4CYP2C19PDK1MAPT | |
| SCHEMBL12312877 | 0.73 | CYP3A4 (0.46) | CYP1A2CYP3A4CYP2C19PDK1MAPT | |
| SCHEMBL8773253 | 0.71 | CA2 (0.46) | CYP1A2CYP3A4CYP2C19PDK1MAPT | |
| SCHEMBL492368 | 0.71 | CYP3A4 (0.59) | CYP3A4RAB9AKMT2AALDH1A1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-0527186-A4 | — | UNIV ILLINOIS (US) | 1995-01-18 | — | — | EP | disclosed |
| EP-0527186-A1 | PHOTODYNAMIC PLANT DEFOLIANTS AND CHLOROPHYLL BIOSYNTHESIS MODULATORS | The Board of Trustees for the University of Illinois (US) | 1993-02-17 | — | — | EP | disclosed |
| WO-1991016820-A1 | PHOTODYNAMIC PLANT DEFOLIANTS AND CHLOROPHYLL BIOSYNTHESIS MODULATORS | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) | 1991-11-14 | — | — | WO | disclosed |