Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.55 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.55 |
| ▸ | G6PD | P11413 | 4/20 | 0.53 |
| ▸ | LMNA | P02545 | 3/20 | 0.53 |
| ▸ | SHBG | P04278 | 3/20 | 0.53 |
| ▸ | SERPINA6 | P08185 | 3/20 | 0.53 |
| ▸ | ESR1 | P03372 | 1/20 | 0.53 |
| ▸ | AR | P10275 | 1/20 | 0.53 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.53 |
| ▸ | CYP17A1 | P05093 | 7/20 | 0.51 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.51 |
| ▸ | DPP4 | P27487 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | GUSB | P08236 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| Maleic Acid SCHEMBL11227566 | 0.83 | G6PD (0.55) | ALDH1A1NR3C1MAPK1SMN1; SMN2SIGMAR1 | |
| SCHEMBL11209388 | 0.82 | SHBG (0.63) | G6PDLMNASHBGSERPINA6ESR1 | |
| SCHEMBL11209391 | 0.82 | SHBG (0.63) | G6PDLMNASHBGSERPINA6ESR1 | |
| SCHEMBL4303172 | 0.80 | SHBG (0.61) | G6PDLMNASHBGSERPINA6ESR1 | |
| SCHEMBL4303169 | 0.80 | SHBG (0.61) | G6PDLMNASHBGSERPINA6ESR1 | |
| SCHEMBL11228601 | 0.77 | SHBG (0.58) | ALDH1A1NR3C1MAPK1SMN1; SMN2SIGMAR1 | |
| SCHEMBL11211106 | 0.75 | TDP1 (0.64) | ALDH1A1ARCYP17A1DPP4MEN1 | |
| SCHEMBL11211104 | 0.75 | TDP1 (0.64) | ALDH1A1ARCYP17A1DPP4MEN1 | |
| SCHEMBL7990951 | 0.74 | ALDH1A1 (0.76) | ALDH1A1NR3C1MAPK1SMN1; SMN2SIGMAR1 | |
| SCHEMBL21594801 | 0.74 | ALDH1A1 (0.76) | ALDH1A1NR3C1MAPK1SMN1; SMN2SIGMAR1 |
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-4330539-A | Novel 17-amino-16-hydroxy steroids of the androstane and oestrane series and derivatives thereof | AKZO NV (NL) | 1982-05-18 | — | — | US | claimed |