Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | GABRP | O00591 | 2/20 | 0.39 |
| ▸ | GABRD | O14764 | 2/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.39 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.39 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.39 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.39 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.39 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.39 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.39 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.39 |
| ▸ | GABRA4 | P48169 | 2/20 | 0.39 |
| ▸ | GABRE | P78334 | 2/20 | 0.39 |
| ▸ | GABRA6 | Q16445 | 2/20 | 0.39 |
| ▸ | GABRG1 | Q8N1C3 | 2/20 | 0.39 |
| ▸ | GABRG3 | Q99928 | 2/20 | 0.39 |
| ▸ | GABRQ | Q9UN88 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL10706765 | 0.92 | OPRM1 (0.52) | OPRM1ALDH1A1TDP1TP53GABRP | |
| SCHEMBL26863781 | 0.90 | OPRM1 (0.50) | OPRM1ALDH1A1TDP1TP53GABRP | |
| Water SCHEMBL10400451 | 0.87 | OPRM1 (0.48) | OPRM1ALDH1A1TDP1TP53GABRP | |
| SCHEMBL12391772 | 0.82 | — | — | |
| SCHEMBL28732357 | 0.82 | OPRM1 (0.42) | OPRM1ALDH1A1TDP1TP53GABRP | |
| Heptaminol SCHEMBL152610 | 0.81 | OPRM1 (0.46) | OPRM1ALDH1A1TDP1TP53GABRP | |
| Heptaminol SCHEMBL7530730 | 0.81 | OPRM1 (0.46) | OPRM1ALDH1A1TDP1TP53GABRP | |
| SCHEMBL21753834 | 0.81 | OPRM1 (0.46) | OPRM1ALDH1A1TDP1TP53GABRP | |
| Heptaminol SCHEMBL3163491 | 0.81 | OPRM1 (0.46) | OPRM1ALDH1A1TDP1TP53GABRP | |
| SCHEMBL27253387 | 0.80 | OPRM1 (0.41) | OPRM1ALDH1A1TDP1TP53GABRP |
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-2021121327-A1 | SUBSTITUTED STRAIGHT CHAIN SPIRO DERIVATIVES | JANSSEN PHARMACEUTICA NV (BE) | 2021-06-24 | — | — | WO | disclosed |
| EP-2203429-A1 | PYRIDAZINONE DERIVATIVES AND USE THEREOF AS P2X7 RECEPTOR INHIBITORS | Nissan Chemical Industries, Ltd. (JP) | 2010-07-07 | — | — | EP | disclosed |
| WO-2009057827-A1 | PYRIDAZINONE DERIVATIVES AND USE THEREOF AS P2X7 RECEPTOR INHIBITORS | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 2009-05-07 | — | — | WO | disclosed |