Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 5/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | HCN1 | O60741 | 2/20 | 0.36 |
| ▸ | HCN4 | Q9Y3Q4 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.35 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL16882198 | 0.77 | — | — | |
| SCHEMBL15495292 | 0.74 | HRH3 (0.41) | ALDH1A1L3MBTL1KDM4EHPGDGAA | |
| SCHEMBL3823211 | 0.69 | — | — | |
| 1,2-Diethoxybenzene SCHEMBL29428929 | 0.68 | ALDH1A1 (0.68) | ALDH1A1NPSR1L3MBTL1HTR1AADRA1D | |
| SCHEMBL3399879 | 0.68 | ALDH1A1 (0.40) | ALDH1A1L3MBTL1KDM4EMAPTHPGD | |
| 1,2-Diethoxybenzene SCHEMBL578986 | 0.68 | ALDH1A1 (0.68) | ALDH1A1NPSR1L3MBTL1HTR1AADRA1D | |
| SCHEMBL29196638 | 0.65 | SIGMAR1 (0.47) | ALDH1A1NPSR1L3MBTL1GLAHCN1 | |
| SCHEMBL13434101 | 0.63 | HTR1A (0.74) | ALDH1A1NPSR1L3MBTL1HTR1AADRA1D | |
| SCHEMBL9061858 | 0.63 | ALDH1A1 (0.40) | ALDH1A1NPSR1L3MBTL1KDM4EMAPT | |
| SCHEMBL10998289 | 0.62 | ALDH1A1 (0.60) | ALDH1A1NPSR1L3MBTL1HTR1AADRA1D |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2684861-A2 | Spiro compounds and pharmaceutical use thereof | Japan Tobacco Inc. (JP) | 2014-01-15 | — | — | EP | disclosed |
| EP-2508503-A1 | Spiro compounds and pharmaceutical use thereof | Japan Tobacco, Inc. (JP) | 2012-10-10 | — | — | EP | disclosed |
| EP-2202216-B1 | SPIRO-RING COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES | JAPAN TOBACCO INC (JP) | 2012-06-27 | — | — | EP | disclosed |
| EP-2202216-A1 | SPIRO-RING COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES | Japan Tobacco Inc. (JP) | 2010-06-30 | — | — | EP | disclosed |