Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 4/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.43 |
| ▸ | MEN1 | O00255 | 4/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.43 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.43 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.43 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.43 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.43 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.43 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 1/20 | 0.42 |
| ▸ | RIPK1 | Q13546 | 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 | |
|---|---|---|---|---|
| SCHEMBL5229359 | 1.00 | TACR1 (0.53) | TACR1KMT2AMEN1MAPTHDAC1 | |
| SCHEMBL5234092 | 0.79 | KMT2A (0.67) | TACR1KMT2AMEN1MAPTHDAC1 | |
| SCHEMBL5230347 | 0.79 | TACR1 (0.83) | TACR1KMT2AMEN1HDAC1HDAC8 | |
| SCHEMBL5236172 | 0.79 | TACR1 (0.61) | TACR1KMT2AMEN1HDAC1HDAC8 | |
| SCHEMBL5231559 | 0.74 | TACR1 (0.49) | TACR1KMT2AMEN1MAPTHDAC1 | |
| SCHEMBL5229392 | 0.72 | KMT2A (0.49) | TACR1KMT2AMEN1MAPTHDAC1 | |
| SCHEMBL4287307 | 0.67 | HDAC1 (0.75) | TACR1KMT2AMEN1MAPTHDAC1 | |
| SCHEMBL7822959 | 0.67 | HDAC1 (0.75) | TACR1KMT2AMEN1MAPTHDAC1 | |
| SCHEMBL7838849 | 0.66 | TACR1 (0.51) | TACR1KMT2AMEN1MAPTL3MBTL1 | |
| SCHEMBL7824526 | 0.66 | TACR1 (0.51) | TACR1KMT2AMEN1MAPTL3MBTL1 |
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 |