Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.41 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.41 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 2/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.40 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | LIG1 | P18858 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9705320 | 0.79 | KDM4E (0.43) | ALDH1A1HTR1AHPGDL3MBTL1KDM4E | |
| SCHEMBL11211176 | 0.76 | ALDH1A1 (0.49) | ALDH1A1HTR1ATSHRMAPT | |
| SCHEMBL6836903 | 0.75 | ALDH1A1 (0.58) | ALDH1A1CYP3A4HTR1AHPGDTSHR | |
| SCHEMBL11218149 | 0.75 | ALDH1A1 (0.48) | ALDH1A1HTR1AMAPK1KDM4EHTT | |
| SCHEMBL11207230 | 0.75 | ALDH1A1 (0.58) | ALDH1A1HTR1AHPGDHSD17B10L3MBTL1 | |
| SCHEMBL9704953 | 0.75 | HTR1A (0.54) | ALDH1A1CYP3A4HTR1ATSHRHSD17B10 | |
| SCHEMBL6729462 | 0.75 | ALDH1A1 (0.54) | ALDH1A1MAPTNPC1RAB9ALMNA | |
| SCHEMBL10595250 | 0.74 | ALDH1A1 (0.53) | ALDH1A1CYP3A4HTR1AADRA2CHPGD | |
| SCHEMBL27443068 | 0.72 | ALDH1A1 (0.45) | ALDH1A1TXNRD1TXNRD3TXNRD2CYP3A4 | |
| SCHEMBL9704945 | 0.71 | ALDH1A1 (0.44) | ALDH1A1HTR1A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0095454-A2 | Nuclens-substituted pyrogallol derivatives | Gerot-Pharmazeutika Gesellschaft m.b.H. (AT) | 1983-11-30 | — | — | EP | disclosed |