Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.53 |
| ▸ | HPGD | P15428 | 4/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.46 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.46 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.46 |
| ▸ | RPA1 | P27694 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1772679 | 0.76 | ALDH1A1 (0.84) | ALDH1A1HPGDKDM4ENR4A1NR4A2 | |
| SCHEMBL7138575 | 0.73 | ALDH1A1 (0.65) | ALDH1A1HPGDKDM4ENR4A1NR4A2 | |
| SCHEMBL13680601 | 0.73 | TDP1 (0.39) | ALDH1A1HPGDKDM4EMEN1KMT2A | |
| SCHEMBL307282 | 0.72 | ALDH1A1 (0.92) | ALDH1A1HPGDKDM4ENR4A1NR4A2 | |
| SCHEMBL242273 | 0.72 | ALDH1A1 (0.70) | ALDH1A1HPGDKDM4ENR4A1NR4A2 | |
| Hydrochloric Acid SCHEMBL31462928 | 0.71 | ALDH1A1 (0.63) | ALDH1A1HPGDKDM4ENR4A1NR4A2 | |
| SCHEMBL17057431 | 0.71 | KDM4E (0.56) | ALDH1A1HPGDKDM4ENR4A1NR4A2 | |
| SCHEMBL9613179 | 0.70 | ALDH1A1 (0.68) | ALDH1A1HPGDKDM4ENR4A1NR4A2 | |
| SCHEMBL2561619 | 0.69 | ALDH1A1 (0.66) | ALDH1A1HPGDKDM4ENR4A1NR4A2 | |
| SCHEMBL2557432 | 0.69 | ALDH1A1 (0.66) | ALDH1A1HPGDKDM4ENR4A1NR4A2 |
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-2015161928-A1 | 3-OXO-TETRAHYDRO-FURO[3,2-B]PYRROL-4(5H)-YL) DERIVATIVES I | Grünenthal GmbH (DE) | 2015-10-29 | — | — | WO | disclosed |