Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | HTT | P42858 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | TACR1 | P25103 | 2/20 | 0.39 |
| ▸ | AHR | P35869 | 2/20 | 0.39 |
| ▸ | JAK2 | O60674 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | HTR6 | P50406 | 2/20 | 0.38 |
| ▸ | TACR2 | P21452 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7011147 | 0.82 | CHRNA7 (0.39) | SMN1; SMN2DRD2DRD4DRD3 | |
| SCHEMBL5234914 | 0.80 | CYP2C9 (0.41) | SMN1; SMN2MEN1KMT2AMAPTDRD4 | |
| SCHEMBL3120511 | 0.74 | BCHE (0.52) | BCHECYP2D6RAB9ASMN1; SMN2MEN1 | |
| SCHEMBL2754242 | 0.69 | RAB9A (0.70) | BCHECYP2D6RAB9ASMN1; SMN2KMT2A | |
| SCHEMBL5234092 | 0.66 | KMT2A (0.67) | SMN1; SMN2MEN1KMT2ATACR1CYP3A4 | |
| SCHEMBL3996399 | 0.64 | BCHE (0.55) | BCHECYP2D6RAB9ASMN1; SMN2KMT2A | |
| SCHEMBL553605 | 0.62 | MEN1 (1.00) | BCHECYP2D6SMN1; SMN2MEN1KMT2A | |
| SCHEMBL30648199 | 0.62 | MEN1 (1.00) | BCHECYP2D6SMN1; SMN2MEN1KMT2A | |
| Arundine SCHEMBL325162 | 0.61 | MEN1 (1.00) | BCHECYP2D6MEN1KMT2AHTT | |
| SCHEMBL28961243 | 0.61 | MEN1 (0.61) | CYP2D6SMN1; SMN2MEN1KMT2AHTT |
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-1296961-A1 | 1,4-DIAZEPAN-2,5-DIONE DERIVATIVES AND THEIR USE AS NK-1 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2003-04-02 | — | — | EP | disclosed |
| WO-2001090083-A1 | 1,4-DIAZEPAN-2,5-DIONE DERIVATIVES AND THEIR USE AS NK-1 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2001-11-29 | — | — | WO | disclosed |