Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRL1 | P41146 | 2/20 | 0.47 |
| ▸ | HTR1A | P08908 | 3/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HTR6 | P50406 | 5/20 | 0.39 |
| ▸ | HTR7 | P34969 | 2/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | HTR5A | P47898 | 1/20 | 0.39 |
| ▸ | ADRB1 | P08588 | 3/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.39 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.38 |
| ▸ | HTR3B | O95264 | 1/20 | 0.38 |
| ▸ | HTR3A | P46098 | 1/20 | 0.38 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.38 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 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 | |
|---|---|---|---|---|
| SCHEMBL11306515 | 0.89 | ADRB1 (0.44) | OPRL1HTR1ASLC6A2SLC6A4SLC6A3 | |
| Tert-Butyl Formate SCHEMBL27925823 | 0.87 | OPRL1 (0.39) | OPRL1HTR1ASLC6A2SLC6A4SLC6A3 | |
| SCHEMBL11296484 | 0.77 | SIGMAR1 (0.49) | OPRL1HTR1ASLC6A2SLC6A4SLC6A3 | |
| SCHEMBL8432299 | 0.75 | HTR6 (0.46) | OPRL1HTR1ASLC6A2SLC6A4SLC6A3 | |
| SCHEMBL15755266 | 0.75 | ACHE (0.46) | ALDH1A1 | |
| SCHEMBL11300489 | 0.75 | HTR6 (0.51) | HTR1ASLC6A2SLC6A4SLC6A3HTR6 | |
| SCHEMBL30337054 | 0.71 | HTR1A (0.67) | OPRL1HTR1ASLC6A2SLC6A4SLC6A3 | |
| SCHEMBL6582872 | 0.71 | ALDH1A1 (0.56) | OPRL1HTR1ASLC6A2SLC6A4SLC6A3 | |
| SCHEMBL8705117 | 0.69 | HTR6 (0.49) | HTR1ASLC6A2SLC6A4SLC6A3HTR6 | |
| SCHEMBL11299583 | 0.69 | TSHR (0.38) | ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2665727-A1 | BICYCLIC CARBOXAMIDE INHIBITORS OF KINASES | Abbvie Inc. (US) | 2013-11-27 | — | — | EP | disclosed |
| EP-2665724-A1 | BICYCLIC INHIBITORS OF ALK | AbbVie Inc. (US) | 2013-11-27 | — | — | EP | disclosed |
| WO-2012097684-A1 | BICYCLIC CARBOXAMIDE INHIBITORS OF KINASES | ABBOTT LABORATORIES (US) | 2012-07-26 | — | — | WO | disclosed |
| WO-2012097682-A1 | BICYCLIC INHIBITORS OF ALK | ABBOTT LABORATORIES (US) | 2012-07-26 | — | — | WO | disclosed |