Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 7/20 | 0.59 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.53 |
| ▸ | NOS3 | P29474 | 2/20 | 0.53 |
| ▸ | NOS2 | P35228 | 2/20 | 0.53 |
| ▸ | BLM | P54132 | 1/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 3/20 | 0.51 |
| ▸ | IDO1 | P14902 | 8/20 | 0.46 |
| ▸ | HTT | P42858 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | BACE1 | P56817 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL13007585 | 0.81 | IDO1 (0.62) | NOS1TAAR1CYP2D6CYP3A4HIF1A | |
| SCHEMBL22275669 | 0.80 | NOS1 (0.61) | NOS1TAAR1CYP2D6NPC1CYP3A4 | |
| Bromide SCHEMBL4919108 | 0.80 | IDO1 (0.61) | NOS1TAAR1NOS3NOS2LMNA | |
| SCHEMBL9191031 | 0.79 | IDO1 (0.69) | NOS1TAAR1CYP2D6NPC1CYP3A4 | |
| SCHEMBL9194773 | 0.79 | NOS1 (0.59) | NOS1TAAR1CYP2D6NPC1CYP3A4 | |
| SCHEMBL14068683 | 0.79 | NOS1 (0.59) | NOS1TAAR1CYP2D6NPC1CYP3A4 | |
| Bromide SCHEMBL22263123 | 0.79 | NOS1 (0.59) | NOS1TAAR1CYP2D6NPC1CYP3A4 | |
| SCHEMBL4841912 | 0.76 | TAAR1 (0.57) | TAAR1IDO1HPGDAOC3 | |
| SCHEMBL6092338 | 0.75 | TAAR1 (0.52) | TAAR1NPC1RAB9ALMNASMN1; SMN2 | |
| SCHEMBL11452419 | 0.75 | NOS1 (1.00) | NOS1TAAR1CYP2D6NPC1CYP3A4 |
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 |