Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 7/20 | 0.68 |
| ▸ | LMNA | P02545 | 7/20 | 0.68 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.68 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.68 |
| ▸ | MAPT | P10636 | 6/20 | 0.68 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.68 |
| ▸ | TSHR | P16473 | 4/20 | 0.68 |
| ▸ | SHBG | P04278 | 4/20 | 0.68 |
| ▸ | SERPINA6 | P08185 | 4/20 | 0.68 |
| ▸ | NR3C1 | P04150 | 3/20 | 0.68 |
| ▸ | PGR | P06401 | 3/20 | 0.68 |
| ▸ | AR | P10275 | 3/20 | 0.68 |
| ▸ | GPBAR1 | Q8TDU6 | 3/20 | 0.68 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.68 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.68 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.68 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.68 |
| ▸ | MEN1 | O00255 | 2/20 | 0.68 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.68 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.68 |
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 | |
|---|---|---|---|---|
| SCHEMBL9402957 | 1.00 | CYP3A4 (0.68) | CYP3A4LMNAALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL8777097 | 0.84 | SMN1; SMN2 (0.64) | CYP3A4LMNAALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL9110297 | 0.84 | SMN1; SMN2 (0.64) | CYP3A4LMNAALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL8634489 | 0.83 | SRD5A2 (0.75) | CYP3A4LMNAALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL8803310 | 0.83 | LMNA (0.68) | CYP3A4LMNAALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL8803306 | 0.83 | LMNA (0.68) | CYP3A4LMNAALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL8803302 | 0.83 | LMNA (0.68) | CYP3A4LMNAALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL2169764 | 0.83 | CYP3A4 (0.84) | CYP3A4LMNAALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL25933805 | 0.83 | CYP3A4 (0.84) | CYP3A4LMNAALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL8804072 | 0.82 | LMNA (0.73) | CYP3A4LMNAALDH1A1SMN1; SMN2MAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5342948-A | Antiandrogens; ozonation, amination, reduction of androstane derivative with acyl(urea or thiourea) | FARMITALIA CARLO ERBA S.R.L. (IT) | 1994-08-30 | — | — | US | disclosed |
| EP-0523688-A1 | Process for the preparation of 17beta-substituted-4-aza-5alpha-androstan-3-one derivatives | PHARMACIA S.p.A. (IT) | 1993-01-20 | — | — | EP | disclosed |