Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.77 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.76 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.73 |
| ▸ | MAPT | P10636 | 3/20 | 0.73 |
| ▸ | LMNA | P02545 | 2/20 | 0.61 |
| ▸ | GPR3 | P46089 | 1/20 | 0.56 |
| ▸ | POLB | P06746 | 2/20 | 0.54 |
| ▸ | NPC1 | O15118 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 1/20 | 0.54 |
| ▸ | HTT | P42858 | 3/20 | 0.50 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.50 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | CASP1 | P29466 | 2/20 | 0.50 |
| ▸ | BLM | P54132 | 1/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| Quinoline SCHEMBL28269861 | 0.94 | CYP3A4 (0.88) | ALDH1A1CYP3A4KDM4EMAPTLMNA | |
| Triphenylene SCHEMBL28084439 | 0.91 | ALDH1A1 (0.85) | ALDH1A1CYP3A4KDM4EMAPTLMNA | |
| Quinoline SCHEMBL2774 | 0.88 | ALDH1A1 (1.00) | ALDH1A1CYP3A4KDM4EMAPTLMNA | |
| Quinoline SCHEMBL1270969 | 0.88 | ALDH1A1 (1.00) | ALDH1A1CYP3A4KDM4EMAPTLMNA | |
| Quinoline SCHEMBL32661377 | 0.88 | ALDH1A1 (1.00) | ALDH1A1CYP3A4KDM4EMAPTLMNA | |
| Quinoline SCHEMBL29349552 | 0.88 | ALDH1A1 (1.00) | ALDH1A1CYP3A4KDM4EMAPTLMNA | |
| Quinoline SCHEMBL29822171 | 0.88 | ALDH1A1 (1.00) | ALDH1A1CYP3A4KDM4EMAPTLMNA | |
| Phenanthridine SCHEMBL6611376 | 0.88 | KDM4E (0.77) | ALDH1A1CYP3A4KDM4EMAPTLMNA | |
| SCHEMBL50649 | 0.86 | CYP3A4 (1.00) | ALDH1A1CYP3A4KDM4EMAPTLMNA | |
| Quinoline SCHEMBL23202414 | 0.85 | ALDH1A1 (0.94) | ALDH1A1CYP3A4KDM4EMAPTLMNA |
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 |