Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 2/20 | 0.68 |
| ▸ | MEN1 | O00255 | 1/20 | 0.68 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.68 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.68 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.68 |
| ▸ | TSHR | P16473 | 1/20 | 0.68 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.68 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.68 |
| ▸ | BLM | P54132 | 1/20 | 0.68 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.68 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.68 |
| ▸ | HTT | P42858 | 1/20 | 0.63 |
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 | |
|---|---|---|---|---|
| 4-Hydroxytrimethoprim SCHEMBL248638 | 0.91 | DHFR (0.77) | DHFRMEN1SLC22A1ALDH1A1CYP3A4 | |
| SCHEMBL10910444 | 0.89 | DHFR (0.71) | DHFR | |
| 4-Hydroxytrimethoprim SCHEMBL10912986 | 0.88 | DHFR (0.73) | DHFRMEN1SLC22A1ALDH1A1CYP3A4 | |
| Hydrochloric Acid SCHEMBL10912954 | 0.88 | DHFR (0.69) | DHFR | |
| SCHEMBL20061262 | 0.86 | DHFR (0.70) | DHFRMEN1SLC22A1ALDH1A1CYP3A4 | |
| SCHEMBL5943361 | 0.86 | DHFR (0.82) | DHFRMEN1SLC22A1ALDH1A1CYP3A4 | |
| SCHEMBL11596783 | 0.85 | DHFR (0.77) | DHFRMEN1SLC22A1ALDH1A1CYP3A4 | |
| Aditeren SCHEMBL1230789 | 0.83 | DHFR (0.81) | DHFRMEN1SLC22A1ALDH1A1CYP3A4 | |
| SCHEMBL7126736 | 0.82 | DHFR (0.78) | DHFRHTT | |
| SCHEMBL7139214 | 0.82 | DHFR (0.71) | DHFRMEN1SLC22A1ALDH1A1CYP3A4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120115128-A1 | SELECTIVE PROTEIN LABELING | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (IL) | 2012-05-10 | — | — | US | disclosed |
| US-20120115128-A1 | SELECTIVE PROTEIN LABELING | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (IL) | 2012-05-10 | — | — | US | disclosed |
| US-20120115128-A1 | SELECTIVE PROTEIN LABELING | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (IL) | 2012-05-10 | — | — | US | disclosed |
| WO-2010129929-A1 | SELECTIVE PROTEIN LABELING | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) | 2010-11-11 | — | — | WO | disclosed |