Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.40 |
| ▸ | POLB | P06746 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28982949 | 1.00 | KDM4E (0.42) | KDM4EHSD17B10ALDH1A1POLBLMNA | |
| SCHEMBL29190149 | 1.00 | KDM4E (0.42) | KDM4EHSD17B10ALDH1A1POLBLMNA | |
| SCHEMBL27917961 | 0.95 | KDM4E (0.47) | KDM4EHSD17B10ALDH1A1POLBLMNA | |
| SCHEMBL27963467 | 0.95 | KDM4E (0.47) | KDM4EHSD17B10ALDH1A1POLBLMNA | |
| SCHEMBL28213541 | 0.76 | CCR2 (0.42) | HSD17B10ALDH1A1POLBMEN1KMT2A | |
| SCHEMBL5732560 | 0.75 | KDM4E (0.49) | KDM4EHSD17B10ALDH1A1POLBLMNA | |
| SCHEMBL21515118 | 0.75 | KDM4E (0.32) | KDM4ESMN1; SMN2 | |
| SCHEMBL7088944 | 0.75 | CCR2 (0.48) | — | |
| SCHEMBL27638680 | 0.75 | CCR2 (0.48) | — | |
| SCHEMBL685842 | 0.75 | ALDH1A1 (0.40) | KDM4EHSD17B10ALDH1A1POLBLMNA |
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 |
|---|---|---|---|---|---|---|---|
| CN-106164064-B | Substituted cyclopentane, tetrahydrofuran and pyrrolidines as orexin receptor antagonists | 武田药品工业株式会社 | 2019-03-22 | — | — | CN | disclosed |
| CN-106164064-A | Substituted cyclopentane, oxolane and pyrrolidine as orexin receptor antagonists | 武田药品工业株式会社 | 2016-11-23 | — | — | CN | disclosed |