Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 0.59 |
| ▸ | HIF1A | Q16665 | 6/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.59 |
| ▸ | TSHR | P16473 | 1/20 | 0.59 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.59 |
| ▸ | NR3C1 | P04150 | 6/20 | 0.54 |
| ▸ | PGR | P06401 | 5/20 | 0.54 |
| ▸ | LMNA | P02545 | 4/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.54 |
| ▸ | NR3C2 | P08235 | 4/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.46 |
| ▸ | AR | P10275 | 3/20 | 0.45 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.45 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.45 |
| ▸ | ESR1 | P03372 | 1/20 | 0.45 |
| ▸ | SHBG | P04278 | 1/20 | 0.45 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.45 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL10627735 | 1.00 | CYP3A4 (0.59) | CYP3A4HIF1ACYP2C9ALDH1A1TSHR | |
| SCHEMBL10623142 | 0.93 | CYP3A4 (0.61) | CYP3A4HIF1ACYP2C9ALDH1A1TSHR | |
| SCHEMBL10623134 | 0.93 | CYP3A4 (0.61) | CYP3A4HIF1ACYP2C9ALDH1A1TSHR | |
| SCHEMBL10427783 | 0.92 | NR3C2 (0.55) | CYP3A4HIF1ACYP2C9ALDH1A1TSHR | |
| SCHEMBL10427784 | 0.92 | NR3C2 (0.55) | CYP3A4HIF1ACYP2C9ALDH1A1TSHR | |
| SCHEMBL10623059 | 0.90 | CYP3A4 (0.65) | CYP3A4HIF1ACYP2C9ALDH1A1TSHR | |
| SCHEMBL10623047 | 0.90 | CYP3A4 (0.65) | CYP3A4HIF1ACYP2C9ALDH1A1TSHR | |
| SCHEMBL10627760 | 0.86 | CYP3A4 (0.59) | CYP3A4HIF1ACYP2C9ALDH1A1TSHR | |
| SCHEMBL10627752 | 0.86 | CYP3A4 (0.59) | CYP3A4HIF1ACYP2C9ALDH1A1TSHR | |
| SCHEMBL10625985 | 0.85 | CYP3A4 (0.62) | CYP3A4HIF1ACYP2C9ALDH1A1TSHR |
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-4777165-A | 6α, 16β-dimethyl corticoids and their anti-inflammatory use | SCHERING AKTIENGESELLSCHAFT (DE) | 1988-10-11 | — | — | US | disclosed |