Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.44 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.44 |
| ▸ | RORC | P51449 | 3/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.37 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.37 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.37 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | TDO2 | P48775 | 1/20 | 0.36 |
| ▸ | IDO2 | Q6ZQW0 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL751082 | 0.80 | CYP3A4 (0.42) | RORCHSD17B10ALDH1A1CYP3A4ESR1 | |
| SCHEMBL1202828 | 0.78 | ALDH1A1 (0.58) | KMT2AHSD17B10ALDH1A1CYP3A4ESR1 | |
| SCHEMBL1548815 | 0.76 | OPRM1 (0.42) | KMT2AOPRM1OPRD1RORCALDH1A1 | |
| Hydrazine SCHEMBL18138498 | 0.75 | ALDH1A1 (0.55) | KMT2AHSD17B10ALDH1A1CYP3A4ESR1 | |
| SCHEMBL10627201 | 0.74 | FAAH (0.55) | FAAH | |
| SCHEMBL25466151 | 0.73 | ALDH1A1 (0.53) | KMT2AHSD17B10ALDH1A1CYP3A4ESR1 | |
| SCHEMBL11130696 | 0.72 | ALDH1A1 (0.49) | KMT2AHSD17B10ALDH1A1CYP3A4ESR1 | |
| SCHEMBL28178916 | 0.72 | SMN1; SMN2 (0.50) | ALDH1A1CYP3A4CYP19A1FAAH | |
| SCHEMBL11441568 | 0.71 | BRD4 (0.52) | KMT2AMEN1IDO1TDO2 | |
| Bromide SCHEMBL10735522 | 0.71 | ALDH1A1 (0.47) | KMT2AHSD17B10ALDH1A1CYP3A4ESR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2078015-B1 | MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1 AND/OR NF-KAPPAB ACTIVITY AND USE THEREOF | BRISTOL MYERS SQUIBB CO (US) | 2012-03-21 | — | — | EP | disclosed |