Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 10/20 | 0.52 |
| ▸ | NOS1 | P29475 | 2/20 | 0.50 |
| ▸ | BACE1 | P56817 | 1/20 | 0.50 |
| ▸ | SLC11A2 | P49281 | 2/20 | 0.48 |
| ▸ | ATP1A1 | P05023 | 1/20 | 0.46 |
| ▸ | ATP1B1 | P05026 | 1/20 | 0.46 |
| ▸ | ATP1A3 | P13637 | 1/20 | 0.46 |
| ▸ | ATP1B2 | P14415 | 1/20 | 0.46 |
| ▸ | ATP1A2 | P50993 | 1/20 | 0.46 |
| ▸ | ATP1B3 | P54709 | 1/20 | 0.46 |
| ▸ | FXYD2 | P54710 | 1/20 | 0.46 |
| ▸ | ATP1A4 | Q13733 | 1/20 | 0.46 |
| ▸ | NOS3 | P29474 | 1/20 | 0.45 |
| ▸ | NOS2 | P35228 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 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 | |
|---|---|---|---|---|
| SCHEMBL20932608 | 0.95 | IDO1 (0.52) | IDO1NOS1BACE1SLC11A2ATP1A1 | |
| Bromide SCHEMBL22263184 | 0.93 | IDO1 (0.50) | IDO1NOS1BACE1SLC11A2ATP1A1 | |
| SCHEMBL13007602 | 0.74 | BACE1 (0.77) | IDO1NOS1BACE1SLC11A2NOS3 | |
| SCHEMBL2807819 | 0.73 | SLC11A2 (0.73) | IDO1NOS1SLC11A2ATP1A1ATP1B1 | |
| Hydrochloric Acid SCHEMBL2891486 | 0.73 | BACE1 (0.75) | IDO1NOS1BACE1SLC11A2NOS3 | |
| SCHEMBL13007575 | 0.71 | SLC11A2 (0.64) | IDO1NOS1SLC11A2ATP1A1ATP1B1 | |
| Bromide SCHEMBL2810291 | 0.71 | SLC11A2 (0.70) | IDO1NOS1SLC11A2ATP1A1ATP1B1 | |
| SCHEMBL3690053 | 0.71 | SLC11A2 (0.64) | IDO1NOS1SLC11A2ATP1A1ATP1B1 | |
| SCHEMBL3681446 | 0.70 | HTT (0.61) | IDO1NOS1BACE1SLC11A2NOS3 | |
| SCHEMBL3683179 | 0.70 | IDO1 (0.50) | IDO1NOS1BACE1SLC11A2ATP1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7855228-B2 | Antibiotics targeting MreB | THE BOARD OF TRUSTEES OF THE LELAND STAMFORD JUNIOR UNIVERSITY (US) | 2010-12-21 | — | — | US | disclosed |
| US-7855228-B2 | Antibiotics targeting MreB | THE BOARD OF TRUSTEES OF THE LELAND STAMFORD JUNIOR UNIVERSITY (US) | 2010-12-21 | — | — | US | disclosed |