Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.41 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | DRD1 | P21728 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | HTR2B | P41595 | 1/20 | 0.41 |
| ▸ | CCR2 | P41597 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.34 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.34 |
| ▸ | OPRD1 | P41143 | 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 | |
|---|---|---|---|---|
| SCHEMBL8356400 | 0.73 | MTNR1A (0.37) | ALDH1A1HPGDMTNR1AF2PRSS1 | |
| SCHEMBL4685868 | 0.72 | MTNR1A (0.37) | ALDH1A1HPGDMTNR1AGRIN2DGRIN3B | |
| SCHEMBL3542546 | 0.72 | ALDH1A1 (0.52) | ALDH1A1ABCB11NR3C1CYP1A2CYP3A4 | |
| SCHEMBL21634029 | 0.72 | ALDH1A1 (0.47) | ALDH1A1ABCB11NR3C1CYP1A2CYP3A4 | |
| SCHEMBL7195622 | 0.72 | ALDH1A1 (0.50) | ALDH1A1ABCB11NR3C1CYP1A2CYP3A4 | |
| SCHEMBL3923947 | 0.71 | P2RY6 (0.52) | ALDH1A1HSD17B10POLBMIFGRIN2D | |
| SCHEMBL7061211 | 0.71 | CHRM2 (0.40) | ALDH1A1ABCB11NR3C1CYP1A2CYP3A4 | |
| SCHEMBL10425013 | 0.71 | MTNR1A (0.38) | ALDH1A1HPGDMTNR1AF2PRSS1 | |
| SCHEMBL8488364 | 0.71 | HPGD (0.46) | ALDH1A1CYP3A4HPGDMTNR1AF2 | |
| SCHEMBL9618306 | 0.71 | TSHR (0.57) | ALDH1A1HPGDSLC6A4HSD17B10 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7560286-B2 | Mass spectrometric method for structural analysis of chain nitrogen-containing compounds using sqauric acid | SUNTORY HOLDINGS LIMITED (JP) | 2009-07-14 | — | — | US | disclosed |
| US-20040067525-A1 | Method for structural analysis of organic compound | SUNTORY LIMITED (JP) | 2004-04-08 | — | — | US | disclosed |
| WO-1999052861-A1 | NOVEL BENZYL GUANIDINE DERIVATIVES FOR THERAPY AND IN-VIVO AND IN-VITRO DIAGNOSIS | Institut für Diagnostikforschung GmbH an der Freien Universität Berlin (DE) | 1999-10-21 | — | — | WO | disclosed |