Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.43 |
| ▸ | ESR1 | P03372 | 3/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | CASP3 | P42574 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.38 |
| ▸ | RELA | Q04206 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Methylamine SCHEMBL28262977 | 0.78 | CYP1A2 (0.46) | CYP2D6ESR1ESR2CYP1A2CYP2C19 | |
| SCHEMBL29335336 | 0.78 | KIF11 (0.47) | CYP2D6ESR1ESR2CYP1A2CYP2C19 | |
| SCHEMBL10503147 | 0.77 | CYP2D6 (0.42) | CYP2D6ESR1ESR2CYP1A2CYP2C19 | |
| SCHEMBL8426426 | 0.77 | CYP2D6 (0.42) | CYP2D6ESR1ESR2CYP1A2CYP2C19 | |
| SCHEMBL10235450 | 0.77 | CYP2D6 (0.42) | CYP2D6ESR1ESR2CYP1A2CYP2C19 | |
| SCHEMBL1229448 | 0.77 | ESR1 (0.71) | CYP2D6ESR1ESR2CYP1A2CYP2C19 | |
| SCHEMBL11511323 | 0.77 | ALDH1A1 (0.48) | CYP2D6ESR1ESR2CYP1A2CYP2C19 | |
| SCHEMBL11542294 | 0.77 | ESR1 (0.46) | CYP2D6ESR1ESR2CYP1A2CYP2C19 | |
| SCHEMBL11542336 | 0.77 | CYP2D6 (0.42) | CYP2D6ESR1ESR2CYP1A2CYP2C19 | |
| SCHEMBL17938447 | 0.77 | ALDH1A1 (0.46) | CYP2D6CYP1A2CYP2C19ALDH1A1HPGD |
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 |
|---|---|---|---|---|---|---|---|
| US-6291472-B1 | 4a, 5a, 8a, 8b-tetrahydro-6H-pyrrolo[3′,4′:4, 5]furo[3,2-b] pyri-dine-6,8(7H)-dione derivatives for control of endoparasites processes for their preparation | BAYER AKTIENGESELLSCHAFT (DE) | 2001-09-18 | — | — | US | disclosed |