Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 2/20 | 0.52 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.50 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.50 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.50 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.50 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL17939 | 0.91 | IDO1 (0.59) | IDO1TAAR1L3MBTL1MAPTHPGD | |
| Methyl Alcohol SCHEMBL11157987 | 0.89 | IDO1 (0.57) | IDO1TAAR1L3MBTL1MAPTHPGD | |
| Ammonia Solution, Strong SCHEMBL265951 | 0.89 | IDO1 (0.57) | IDO1TAAR1L3MBTL1MAPTHPGD | |
| Bicarbonate SCHEMBL27683066 | 0.88 | MTNR1A (0.54) | IDO1TAAR1L3MBTL1HPGDALDH1A1 | |
| Propionic Acid SCHEMBL9445395 | 0.84 | POLB (0.55) | L3MBTL1HPGDALDH1A1MTNR1AMTNR1B | |
| SCHEMBL28048174 | 0.83 | IDO1 (0.52) | IDO1TAAR1MAPTHPGDALDH1A1 | |
| 1,2-Dimethoxybenzene SCHEMBL23113 | 0.79 | CA1 (0.77) | L3MBTL1MAPTHPGDALDH1A1KDM4E | |
| 1,2-Dimethoxybenzene SCHEMBL1796149 | 0.79 | CA1 (0.77) | L3MBTL1MAPTHPGDALDH1A1KDM4E | |
| SCHEMBL5023545 | 0.79 | CA12 (0.54) | IDO1TAAR1L3MBTL1MAPTHPGD | |
| Ethoxycarbonyl Group SCHEMBL28233663 | 0.77 | CHRM2 (0.47) | IDO1TAAR1L3MBTL1MAPTHPGD |
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 |
|---|---|---|---|---|---|---|---|
| EP-2609089-A1 | SELECTIVE 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS | Universität des Saarlandes (DE) | 2013-07-03 | — | — | EP | disclosed |
| WO-2012025638-A1 | SELECTIVE 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS | Universität des Saarlandes (DE) | 2012-03-01 | — | — | WO | disclosed |