Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XDH | P47989 | 1/20 | 0.42 |
| ▸ | GABRA1 | P14867 | 8/20 | 0.41 |
| ▸ | GABRB2 | P47870 | 8/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | CNR2 | P34972 | 4/20 | 0.41 |
| ▸ | MEN1 | O00255 | 4/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.41 |
| ▸ | GAA | P10253 | 3/20 | 0.41 |
| ▸ | PPARG | P37231 | 2/20 | 0.41 |
| ▸ | PPARD | Q03181 | 2/20 | 0.41 |
| ▸ | CNR1 | P21554 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.41 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 6/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7738419 | 0.91 | XDH (0.40) | XDHGABRA1GABRB2ALDH1A1MAPT | |
| SCHEMBL7732384 | 0.87 | XDH (0.44) | XDHGABRA1GABRB2ALDH1A1MAPT | |
| SCHEMBL7740836 | 0.84 | ALDH1A1 (0.39) | XDHGABRA1GABRB2ALDH1A1MAPT | |
| SCHEMBL7732398 | 0.81 | ALDH1A1 (0.41) | XDHGABRA1GABRB2ALDH1A1MAPT | |
| SCHEMBL7732427 | 0.79 | ALDH1A1 (0.40) | XDHGABRA1GABRB2ALDH1A1MAPT | |
| SCHEMBL7732390 | 0.79 | PPARA (0.40) | XDHGABRA1GABRB2ALDH1A1MAPT | |
| SCHEMBL7737805 | 0.77 | CYP4F2 (0.45) | ALDH1A1GAANPSR1ALOX5CYP3A4 | |
| SCHEMBL7738401 | 0.77 | ALDH1A1 (0.38) | XDHGABRA1GABRB2ALDH1A1MAPT | |
| SCHEMBL17594048 | 0.75 | ALDH1A1 (0.63) | GABRA1GABRB2ALDH1A1MAPTCNR2 | |
| SCHEMBL7740857 | 0.74 | NQO2 (0.43) | ALDH1A1MAPTMEN1KMT2AKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| US-6416861-B1 | COMBINATORIAL CHEMISTRY | NORTHWESTERN UNIVERSITY | 2002-07-09 | — | — | US | disclosed |
| WO-2000049022-A2 | ORGANOSILICON COMPOUNDS AND USES THEREOF | NORTHWESTERN UNIVERSITY (US) | 2000-08-24 | — | — | WO | disclosed |