Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 8/20 | 0.36 |
| ▸ | TACR2 | P21452 | 3/20 | 0.35 |
| ▸ | TAC3 | Q9UHF0 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.34 |
| ▸ | GSK3B | P49841 | 2/20 | 0.34 |
| ▸ | HTR2C | P28335 | 2/20 | 0.34 |
| ▸ | TACR3 | P29371 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8430935 | 0.83 | TACR1 (0.50) | TACR1HTR2CCYP2D6 | |
| SCHEMBL7026867 | 0.68 | TACR1 (0.49) | TACR1TACR3 | |
| SCHEMBL6961114 | 0.68 | TACR1 (0.49) | TACR1TACR2KCNH2GSK3BCYP2D6 | |
| SCHEMBL6451558 | 0.66 | TACR1 (0.47) | TACR1TACR2TAC3TACR3 | |
| SCHEMBL8531040 | 0.66 | TACR1 (0.53) | TACR1CYP2D6 | |
| SCHEMBL9036346 | 0.65 | TACR1 (0.58) | TACR1SLC6A2SLC6A4SLC6A3CYP2D6 | |
| SCHEMBL8775410 | 0.63 | SLC6A2 (0.49) | SLC6A2SLC6A4SLC6A3KCNH2HTR2C | |
| SCHEMBL2385210 | 0.63 | TACR1 (0.47) | TACR1HTR2C | |
| SCHEMBL8530408 | 0.63 | HTR2C (0.44) | TACR1HTR2CCYP2D6 | |
| SCHEMBL27859469 | 0.58 | SLC6A2 (0.38) | SLC6A2SLC6A4SLC6A3KCNH2CYP2D6 |
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 4 patents. 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 |
| US-5798359-A | USEFUL FOR TREATMENT OF RESPIRATORY DISORDERS SUCH AS ASTHMA | SCHERING CORPORATION (US) | 1998-08-25 | — | — | US | disclosed |
| US-5795894-A | TREATMENT OF ASTHMA AND BRONCHOSPASM | SCHERING CORPORATION (US) | 1998-08-18 | — | — | US | disclosed |
| US-5719156-A | ASTHMA | SCHERING CORPORATION (US) | 1998-02-17 | — | — | US | disclosed |