Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX15 | P16050 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | CASP7 | P55210 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | TSHR | P16473 | 3/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.31 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2357790 | 0.76 | CYP3A4 (0.41) | ALOX15CYP3A4CASP1CASP7SMN1; SMN2 | |
| SCHEMBL60173 | 0.75 | ALDH1A1 (0.40) | ALDH1A1TSHRESR1 | |
| SCHEMBL7492439 | 0.75 | ESR1 (0.54) | CYP3A4ALDH1A1TSHRADRA2BESR1 | |
| SCHEMBL9252331 | 0.75 | IDO1 (0.40) | CYP3A4CASP1ALDH1A1TSHRL3MBTL1 | |
| SCHEMBL28448111 | 0.75 | IDO1 (0.39) | CYP3A4ALDH1A1ESR1 | |
| SCHEMBL431987 | 0.75 | IDO1 (0.39) | ALOX15CYP3A4ALDH1A1ESR1 | |
| SCHEMBL28899530 | 0.75 | ESR1 (0.34) | ESR1 | |
| SCHEMBL1763134 | 0.74 | CYP3A4 (0.39) | ALOX15CYP3A4CASP1CASP7SMN1; SMN2 | |
| SCHEMBL7776205 | 0.73 | CA1 (0.46) | CYP3A4CA1CA2CA9ALDH1A1 | |
| SCHEMBL8113334 | 0.72 | CYP3A4 (0.38) | ALOX15CYP3A4CASP1CASP7SMN1; SMN2 |
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-5750409-A | MARKERS FOR HAPTEN-ANTIBODY-PROTEIN CONJUGATES | BOEHRINGER MANNHEIM GMBH (DE) | 1998-05-12 | — | — | US | disclosed |