Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BMP1 | P13497 | 3/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.48 |
| ▸ | TAS2R14 | Q9NYV8 | 3/20 | 0.47 |
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | CA9 | Q16790 | 2/20 | 0.44 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA4 | P22748 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL13069327 | 0.91 | KEAP1 (0.54) | BMP1L3MBTL1PTGER1TAS2R14TP53 | |
| SCHEMBL7889204 | 0.89 | CA12 (0.47) | BMP1TP53CA1CA2CA9 | |
| SCHEMBL7879881 | 0.89 | CA12 (0.47) | BMP1TP53CA1CA2CA9 | |
| SCHEMBL3811847 | 0.82 | BMP1 (0.50) | BMP1L3MBTL1PTGER1TAS2R14TP53 | |
| SCHEMBL3398501 | 0.82 | BMP1 (0.50) | BMP1L3MBTL1PTGER1TAS2R14TP53 | |
| SCHEMBL29051740 | 0.81 | PTGER1 (0.48) | BMP1L3MBTL1PTGER1TAS2R14PKM | |
| SCHEMBL29051743 | 0.81 | PTGER1 (0.48) | BMP1L3MBTL1PTGER1TAS2R14PKM | |
| SCHEMBL3393112 | 0.80 | CA12 (0.49) | CA1CA2CA9CA12CA4 | |
| SCHEMBL3393113 | 0.80 | CA12 (0.49) | CA1CA2CA9CA12CA4 | |
| SCHEMBL7888158 | 0.80 | CA12 (0.49) | CA1CA2CA9CA12CA4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2246331-A1 | NR2B-selective NMDA-receptor antagonists | Westfälische Wilhelms-Universität Münster (DE) | 2010-11-03 | — | — | EP | disclosed |
| WO-2010122134-A1 | NR2B-SELECTIVE NMDA-RECEPTOR ANTAGONISTS | Westfälische Wilhelms Universität Münster (DE) | 2010-10-28 | — | — | WO | disclosed |