Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 4/20 | 0.56 |
| ▸ | IDO1 | P14902 | 16/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.47 |
| ▸ | NOS3 | P29474 | 1/20 | 0.47 |
| ▸ | NOS2 | P35228 | 1/20 | 0.47 |
| ▸ | BLM | P54132 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL5450413 | 0.75 | NOS1 (1.00) | NOS1IDO1NOS3NOS2 | |
| SCHEMBL9196649 | 0.75 | NOS1 (0.56) | NOS1IDO1NPC1CYP3A4CYP2D6 | |
| SCHEMBL14914554 | 0.73 | ST14 (0.47) | IDO1NPC1CYP2D6RAB9A | |
| SCHEMBL14467311 | 0.73 | HDAC1 (0.48) | IDO1 | |
| SCHEMBL23116506 | 0.71 | MAOB (0.47) | NOS1NPC1CYP3A4CYP2D6RAB9A | |
| SCHEMBL18296627 | 0.67 | ST14 (0.58) | — | |
| SCHEMBL29074409 | 0.67 | NPC1 (0.50) | IDO1NPC1RAB9A | |
| SCHEMBL23116515 | 0.67 | MAOB (0.50) | NOS1NPC1CYP3A4CYP2D6RAB9A | |
| SCHEMBL3779731 | 0.66 | IDO1 (1.00) | NOS1IDO1NOS3NOS2 | |
| SCHEMBL9198797 | 0.66 | IDO1 (1.00) | NOS1IDO1NOS3NOS2 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |