Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC18A3 | Q16572 | 3/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.40 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 2/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | KIF11 | P52732 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL12733110 | 0.79 | GRM1 (0.47) | SLC18A3SIGMAR1AKR1C3AKR1C1NPC1 | |
| SCHEMBL28132670 | 0.76 | — | — | |
| SCHEMBL7139724 | 0.76 | — | — | |
| SCHEMBL7139721 | 0.76 | — | — | |
| SCHEMBL190417 | 0.73 | SLC18A3 (0.67) | SLC18A3SIGMAR1AKR1C3AKR1C1GRIN2B | |
| SCHEMBL41763 | 0.73 | — | — | |
| SCHEMBL28171748 | 0.71 | AKR1C3 (0.47) | SLC18A3SIGMAR1AKR1C3AKR1C1IDO1 | |
| SCHEMBL5368274 | 0.71 | FFAR1 (0.45) | SLC18A3SIGMAR1AKR1C3AKR1C1IDO1 | |
| Methylamine SCHEMBL10526333 | 0.71 | SLC18A3 (0.58) | SLC18A3SIGMAR1AKR1C3AKR1C1GRIN2B | |
| SCHEMBL16291431 | 0.71 | SLC18A3 (0.48) | SLC18A3SIGMAR1AKR1C3AKR1C1GRIN2B |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5892039-A | Piperazino derivatives as neurokinin antagonists | SCHERING CORPORATION (US) | 1999-04-06 | — | — | US | disclosed |