Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SHBG | P04278 | 4/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 9/20 | 0.52 |
| ▸ | LMNA | P02545 | 7/20 | 0.52 |
| ▸ | MAPT | P10636 | 5/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.52 |
| ▸ | TSHR | P16473 | 5/20 | 0.52 |
| ▸ | NR3C1 | P04150 | 4/20 | 0.52 |
| ▸ | PGR | P06401 | 4/20 | 0.52 |
| ▸ | AR | P10275 | 4/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.52 |
| ▸ | SERPINA6 | P08185 | 3/20 | 0.52 |
| ▸ | GPBAR1 | Q8TDU6 | 3/20 | 0.52 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.52 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.52 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL11209595 | 0.87 | SHBG (0.66) | SHBGCYP3A4LMNAMAPTALDH1A1 | |
| SCHEMBL11212944 | 0.80 | SHBG (0.52) | SHBGCYP3A4LMNAMAPTALDH1A1 | |
| SCHEMBL15369348 | 0.74 | CYP3A4 (0.79) | SHBGCYP3A4LMNAMAPTALDH1A1 | |
| SCHEMBL18438757 | 0.74 | CYP3A4 (0.79) | SHBGCYP3A4LMNAMAPTALDH1A1 | |
| SCHEMBL7996078 | 0.74 | CYP3A4 (0.79) | SHBGCYP3A4LMNAMAPTALDH1A1 | |
| SCHEMBL2600420 | 0.74 | CYP3A4 (0.79) | SHBGCYP3A4LMNAMAPTALDH1A1 | |
| SCHEMBL2082800 | 0.74 | CYP3A4 (0.79) | SHBGCYP3A4LMNAMAPTALDH1A1 | |
| SCHEMBL4617560 | 0.74 | CYP3A4 (0.79) | SHBGCYP3A4LMNAMAPTALDH1A1 | |
| SCHEMBL4617563 | 0.74 | CYP3A4 (0.79) | SHBGCYP3A4LMNAMAPTALDH1A1 | |
| SCHEMBL547898 | 0.74 | CYP3A4 (0.79) | SHBGCYP3A4LMNAMAPTALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0033561-B1 | NOVEL 17-AMINO-16-HYDROXY STEROIDS OF THE ANDROSTANE AND OESTRANE SERIES AND DERIVATIVES THEREOF, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS | AKZO N.V. (NL) | 1983-05-11 | — | — | EP | disclosed |
| US-4330539-A | Novel 17-amino-16-hydroxy steroids of the androstane and oestrane series and derivatives thereof | AKZO NV (NL) | 1982-05-18 | — | — | US | disclosed |
| EP-0033561-A1 | Novel 17-amino-16-hydroxy steroids of the androstane and oestrane series and derivatives thereof, processes for their preparation and pharmaceutical compositions | AKZO N.V. (NL) | 1981-08-12 | — | — | EP | disclosed |