Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | L3MBTL3 | Q96JM7 | 2/20 | 0.58 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.58 |
| ▸ | TACR1 | P25103 | 4/20 | 0.54 |
| ▸ | CCR3 | P51677 | 12/20 | 0.50 |
| ▸ | MBTD1 | Q05BQ5 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL16333179 | 0.84 | CYP1A2 (0.57) | CCR3CYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL7727307 | 0.84 | CYP1A2 (0.57) | CCR3CYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL6478479 | 0.84 | CYP1A2 (0.57) | CCR3CYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL20246717 | 0.81 | SIGMAR1 (0.47) | CCR3CYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL8784212 | 0.81 | TACR1 (0.64) | TACR1CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL4070780 | 0.76 | HRH3 (0.50) | CCR3CYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL1461270 | 0.75 | MC4R (0.53) | L3MBTL3L3MBTL1TACR1CCR3MBTD1 | |
| SCHEMBL11968795 | 0.75 | MC4R (0.57) | L3MBTL3L3MBTL1TACR1CCR3TSHR | |
| SCHEMBL23682663 | 0.75 | L3MBTL3 (1.00) | L3MBTL3L3MBTL1MBTD1CYP2D6CYP2C19 | |
| SCHEMBL8276876 | 0.74 | ALDH1A1 (0.49) | CCR3CYP3A4CYP2C19 |
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-0781277-A1 | NEUROKININ ANTAGONISTS | BOEHRINGER INGELHEIM KG (DE) | 1997-07-02 | — | — | EP | disclosed |
| WO-1996008480-A1 | NEUROKININ ANTAGONISTS | BOEHRINGER INGELHEIM KG (DE) | 1996-03-21 | — | — | WO | disclosed |