Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.45 |
| ▸ | TP53 | P04637 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.44 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | HTR2C | P28335 | 1/20 | 0.42 |
| ▸ | USP5 | P45974 | 1/20 | 0.42 |
| ▸ | NAMPT | P43490 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4539521 | 0.90 | ALDH1A1 (0.46) | ALDH1A1POLBTP53KMT2AMEN1 | |
| SCHEMBL4542554 | 0.90 | DRD2 (0.51) | ALDH1A1POLBKMT2AMEN1 | |
| SCHEMBL8066749 | 0.90 | CYP3A4 (0.51) | CYP3A4CYP2C19ALDH1A1POLBTP53 | |
| SCHEMBL4538134 | 0.90 | ALDH1A1 (0.48) | ALDH1A1KMT2AMEN1SMN1; SMN2PKM | |
| SCHEMBL4541335 | 0.90 | CYP3A4 (0.51) | CYP3A4CYP2C19ALDH1A1POLBTP53 | |
| SCHEMBL4535499 | 0.85 | ALDH1A1 (0.56) | ALDH1A1POLBTP53KMT2AENPP3 | |
| SCHEMBL4535774 | 0.85 | CYP3A4 (0.59) | CYP3A4CYP2C19ALDH1A1TP53KMT2A | |
| SCHEMBL4541251 | 0.82 | EPHX2 (0.45) | ALDH1A1POLBKMT2AMEN1USP5 | |
| SCHEMBL4542877 | 0.82 | HSD11B1 (0.44) | ALDH1A1KMT2AMEN1 | |
| SCHEMBL4537510 | 0.81 | RAB9A (0.56) | ALDH1A1SMN1; SMN2MAPTENPP3CA12 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009070497-A1 | SEH AND 11 β-HSD1 INHIBITORS AND THEIR USE | SMITHKLINE BEECHAM CORPORATION (US) | 2009-06-04 | — | — | WO | disclosed |