Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.77 |
| ▸ | IDO1 | P14902 | 9/20 | 0.55 |
| ▸ | SLC11A2 | P49281 | 3/20 | 0.55 |
| ▸ | NOS1 | P29475 | 3/20 | 0.54 |
| ▸ | NOS3 | P29474 | 2/20 | 0.53 |
| ▸ | NOS2 | P35228 | 2/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.51 |
| ▸ | TP53 | P04637 | 2/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL2891486 | 0.98 | BACE1 (0.75) | BACE1IDO1SLC11A2NOS1NOS3 | |
| SCHEMBL22275785 | 0.89 | BACE1 (0.69) | BACE1IDO1SLC11A2NOS1NOS3 | |
| Bromide SCHEMBL20920184 | 0.88 | BACE1 (0.67) | BACE1IDO1SLC11A2NOS1NOS3 | |
| SCHEMBL21763692 | 0.81 | BACE1 (0.58) | BACE1IDO1SLC11A2NOS1NOS3 | |
| SCHEMBL13256355 | 0.80 | BACE1 (0.54) | BACE1IDO1SLC11A2NOS1NOS3 | |
| Bromide SCHEMBL21751249 | 0.80 | BACE1 (0.57) | BACE1IDO1SLC11A2NOS1NOS3 | |
| Hydrochloric Acid SCHEMBL3396007 | 0.79 | BACE1 (0.53) | BACE1IDO1SLC11A2NOS1NOS3 | |
| SCHEMBL13007585 | 0.78 | IDO1 (0.62) | BACE1IDO1SLC11A2NOS1NOS3 | |
| Bromide SCHEMBL3595630 | 0.78 | BACE1 (0.55) | BACE1IDO1SLC11A2NOS1NOS3 | |
| Bromide SCHEMBL4919108 | 0.77 | IDO1 (0.61) | BACE1IDO1SLC11A2NOS1NOS3 |
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 |