Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.39 |
| ▸ | NOS2 | P35228 | 2/20 | 0.39 |
| ▸ | XDH | P47989 | 3/20 | 0.38 |
| ▸ | AR | P10275 | 1/20 | 0.37 |
| ▸ | P2RX3 | P56373 | 3/20 | 0.37 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.36 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.36 |
| ▸ | F11 | P03951 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | NPY2R | P49146 | 1/20 | 0.35 |
| ▸ | EGFR | P00533 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6505721 | 0.83 | IMPDH2 (0.50) | ARIMPDH2ALDH1A1 | |
| SCHEMBL4679832 | 0.76 | RORC (0.44) | P2RX3ALDH1A1EGFR | |
| SCHEMBL3770255 | 0.76 | CYP11B1 (0.43) | XDHARP2RX3CYP11B1CYP11B2 | |
| SCHEMBL2554271 | 0.74 | AR (0.46) | XDHAR | |
| SCHEMBL24048532 | 0.73 | XDH (0.46) | XDHP2RX3ALDH1A1NPY2R | |
| SCHEMBL23927052 | 0.72 | XDH (0.45) | XDHAR | |
| SCHEMBL23927017 | 0.72 | XDH (0.42) | XDHARCYP11B1CYP11B2 | |
| SCHEMBL2553151 | 0.72 | CYP2D6 (0.55) | CYP2D6SLC6A2SLC6A4NOS2XDH | |
| SCHEMBL5841636 | 0.72 | TRPV4 (0.50) | CYP11B1CYP11B2 | |
| SCHEMBL3599842 | 0.71 | CYP2D6 (0.53) | CYP2D6SLC6A2SLC6A4NOS2XDH |
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 |
|---|---|---|---|---|---|---|---|
| US-6906006-B1 | N-arly-substituted nitrogen-containing heterocycles, processes and novel intermediates for their preparation, and their use as herbicides and plant growth regulators | BAYER AKTIENGESELLSCHAFT (DE) | 2005-06-14 | — | — | US | disclosed |
| US-5554580-A | N-aryl-substituted nitrogen-containing heterocycles intermediates and their use as herbicides and plant growth regulators | BAYER AKTIENGESELLSCHAFT (DE) | 1996-09-10 | — | — | US | disclosed |
| US-5006148-A | N-aryl-substituted nitrogen-containing heterocycles, and their use as herbicides and plant growth regulators | BAYER AKTIENGESELLSCHAFT (DE) | 1991-04-09 | — | — | US | disclosed |