Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AVPR2 | P30518 | 20/20 | 0.58 |
| ▸ | AVPR1A | P37288 | 20/20 | 0.58 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.58 |
| ▸ | OXTR | P30559 | 1/20 | 0.58 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.58 |
| ▸ | AVPR1B | P47901 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL19577925 | 0.93 | AVPR2 (0.57) | AVPR2AVPR1ASLC6A2OXTROPRK1 | |
| SCHEMBL19568109 | 0.93 | AVPR2 (0.52) | AVPR2AVPR1ASLC6A2OXTROPRK1 | |
| SCHEMBL19577899 | 0.92 | AVPR2 (0.57) | AVPR2AVPR1ASLC6A2OXTROPRK1 | |
| SCHEMBL19577692 | 0.90 | AVPR2 (0.55) | AVPR2AVPR1ASLC6A2OXTROPRK1 | |
| SCHEMBL19578004 | 0.90 | AVPR2 (0.49) | AVPR2AVPR1ASLC6A2OXTROPRK1 | |
| SCHEMBL19577978 | 0.89 | AVPR2 (0.74) | AVPR2AVPR1ASLC6A2OXTROPRK1 | |
| SCHEMBL20974704 | 0.89 | AVPR2 (0.74) | AVPR2AVPR1ASLC6A2OXTROPRK1 | |
| SCHEMBL19578044 | 0.89 | AVPR2 (0.74) | AVPR2AVPR1ASLC6A2OXTROPRK1 | |
| SCHEMBL19575134 | 0.89 | AVPR2 (0.64) | AVPR2AVPR1ASLC6A2OXTROPRK1 | |
| SCHEMBL19578037 | 0.88 | AVPR2 (0.59) | AVPR2AVPR1ASLC6A2OXTROPRK1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017191114-A1 | HYDROXYALKYL-SUBSTITUTED HETEROARYLTRIAZOLE DERIVATIVES AND USES THEREOF | BAYER AKTIENGESELLSCHAFT (DE) | 2017-11-09 | — | — | WO | disclosed |