Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | MAOA | P21397 | 2/20 | 0.42 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.42 |
| ▸ | PRKCI | P41743 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | STAT3 | P40763 | 2/20 | 0.40 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.40 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.40 |
| ▸ | ACLY | P53396 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28530907 | 0.85 | ALDH1A1 (0.51) | ALDH1A1MAOAPTGDR2PRKCIHTT | |
| SCHEMBL4152400 | 0.85 | ACLY (0.54) | ALDH1A1AKR1C3AKR1C2ACLYMEN1 | |
| SCHEMBL23534890 | 0.81 | ALDH1A1 (0.49) | ALDH1A1PTGDR2TSHRHTTAKR1C3 | |
| SCHEMBL21777655 | 0.81 | KDM4E (0.58) | ALDH1A1HTTMEN1KMT2ACYP1A2 | |
| SCHEMBL21297349 | 0.81 | ALDH1A1 (0.37) | ALDH1A1TSHRHTTSTAT3ACLY | |
| SCHEMBL27731857 | 0.80 | HSP90AB1 (0.43) | ALDH1A1STAT3ACLYDGAT1MEN1 | |
| SCHEMBL30633692 | 0.80 | MAPK1 (0.42) | ALDH1A1MAOAPTGDR2TSHRHTT | |
| SCHEMBL2763343 | 0.79 | SORT1 (0.53) | ALDH1A1HTTMEN1KMT2AMAPT | |
| SCHEMBL20630758 | 0.78 | PRKCI (0.59) | PRKCIAKR1C3AKR1C2KMT2AMAPT | |
| SCHEMBL14215826 | 0.78 | CA12 (0.44) | ALDH1A1PRKCITSHRMAOBMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104844520-A | Novel method for compounding enzalutamide | CHENGDU D INNOVATION PHARMACEUTICAL CO LTD | 2015-08-19 | — | — | CN | disclosed |