Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.40 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | TDP2 | O95551 | 1/20 | 0.34 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | CASP3 | P42574 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | GALK1 | P51570 | 1/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8993508 | 0.76 | IDO1 (0.46) | IDO1MTNR1ACYP1A2CYP2D6CYP2C9 | |
| SCHEMBL8993465 | 0.76 | IDO1 (0.46) | IDO1MTNR1ACYP1A2CYP2D6CYP2C9 | |
| SCHEMBL5749862 | 0.64 | MAOB (0.43) | MAOBGSK3BADKPARP1 | |
| SCHEMBL8993638 | 0.62 | GAA (0.37) | IDO1MTNR1ACYP1A2ALDH1A1MAPT | |
| SCHEMBL3644737 | 0.62 | HDAC8 (0.33) | MAOB | |
| SCHEMBL6380847 | 0.61 | IDO1 (0.54) | IDO1MTNR1AALDH1A1MAPTHPGD | |
| SCHEMBL17070912 | 0.60 | EP300 (0.48) | HTTMAOBGSK3B | |
| SCHEMBL30062572 | 0.60 | PLA2G10 (0.49) | CYP1A2CYP2C19 | |
| SCHEMBL24017027 | 0.60 | MTNR1A (0.49) | IDO1MTNR1AALDH1A1MAPTHPGD | |
| SCHEMBL31252704 | 0.59 | SLC6A4 (0.44) | IDO1MTNR1ACYP1A2CYP2D6CYP2C9 |
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-5574169-A | CHOLECYSTOKININ ANTAGONIST | ELI LILLY AND COMPANY (US) | 1996-11-12 | — | — | US | disclosed |
| US-5399708-A | Cholecystokinin and gastrin antagonists; gastrointestinal and central nervous system disorders | ELI LILLY AND COMPANY (US) | 1995-03-21 | — | — | US | disclosed |