Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 5/20 | 0.72 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.72 |
| ▸ | NPC1 | O15118 | 1/20 | 0.72 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.72 |
| ▸ | RAB9A | P51151 | 1/20 | 0.72 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.72 |
| ▸ | IDO1 | P14902 | 4/20 | 0.72 |
| ▸ | BLM | P54132 | 1/20 | 0.70 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.70 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.56 |
| ▸ | NOS3 | P29474 | 1/20 | 0.56 |
| ▸ | NOS2 | P35228 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL4316762 | 0.85 | NOS1 (1.00) | NOS1CYP2D6NPC1CYP3A4RAB9A | |
| SCHEMBL5045935 | 0.84 | IDO1 (1.00) | NOS1CYP2D6IDO1NOS3NOS2 | |
| SCHEMBL9193560 | 0.83 | NOS1 (0.68) | NOS1CYP2D6NPC1CYP3A4RAB9A | |
| Bromide SCHEMBL2283156 | 0.83 | BLM (1.00) | NOS1CYP2D6NPC1CYP3A4RAB9A | |
| Hydrochloric Acid SCHEMBL489767 | 0.82 | IDO1 (1.00) | NOS1CYP2D6IDO1NOS3NOS2 | |
| SCHEMBL8061071 | 0.82 | NOS1 (0.70) | NOS1CYP2D6NPC1CYP3A4RAB9A | |
| SCHEMBL26313245 | 0.80 | NOS1 (0.81) | NOS1CYP2D6NPC1CYP3A4RAB9A | |
| SCHEMBL26313250 | 0.80 | NOS1 (0.81) | NOS1CYP2D6NPC1CYP3A4RAB9A | |
| SCHEMBL26313697 | 0.80 | NOS1 (0.81) | NOS1CYP2D6NPC1CYP3A4RAB9A | |
| SCHEMBL13067607 | 0.80 | NOS1 (0.88) | NOS1CYP2D6NPC1CYP3A4RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0670720-A1 | ENZYME INHIBITORS | THE WELLCOME FOUNDATION LIMITED (GB) | 1995-09-13 | — | — | EP | claimed |
| WO-1994012165-A2 | ENZYME INHIBITORS | THE WELLCOME FOUNDATION LIMITED (GB) | 1994-06-09 | — | — | WO | claimed |
| EP-0670720-A1 | ENZYME INHIBITORS | THE WELLCOME FOUNDATION LIMITED (GB) | 1995-09-13 | — | — | EP | disclosed |
| WO-1994012165-A2 | ENZYME INHIBITORS | THE WELLCOME FOUNDATION LIMITED (GB) | 1994-06-09 | — | — | WO | disclosed |