Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 6/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 6/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 6/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | TACR1 | P25103 | 3/20 | 0.31 |
| ▸ | TACR2 | P21452 | 1/20 | 0.30 |
| ▸ | IGF1R | P08069 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8053295 | 0.77 | SLC6A2 (0.38) | SLC6A2SLC6A4SLC6A3TACR2 | |
| SCHEMBL8053297 | 0.77 | SLC6A2 (0.38) | SLC6A2SLC6A4SLC6A3TACR2 | |
| SCHEMBL6579297 | 0.71 | SLC6A3 (0.40) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL8332281 | 0.71 | SLC6A3 (0.40) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL6577169 | 0.71 | SLC6A3 (0.40) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL4677515 | 0.71 | SLC6A3 (0.40) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL8101480 | 0.71 | SLC6A3 (0.40) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL8067351 | 0.71 | SLC6A2 (0.40) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL8067348 | 0.71 | SLC6A2 (0.40) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL6424063 | 0.71 | SLC6A2 (0.51) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1998025605-A1 | SPIRO-SUBSTITUTED AZACYCLES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 1998-06-18 | — | — | WO | disclosed |
| EP-0702681-A1 | SPIRO-SUBSTITUTED AZACYCLES AS NEUROKININ ANTAGONISTS | MERCK & CO. INC. (US) | 1996-03-27 | — | — | EP | disclosed |
| WO-1994029309-A1 | SPIRO-SUBSTITUTED AZACYCLES AS NEUROKININ ANTAGONISTS | MERCK & CO., INC. (US) | 1994-12-22 | — | — | WO | disclosed |