Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 3/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL367569 | 0.80 | SRC (0.46) | ALDH1A1HTTHPGDLMNAPOLB | |
| SCHEMBL367330 | 0.79 | EGFR (0.46) | ALDH1A1HPGDPOLBKMT2AKDM4E | |
| SCHEMBL366876 | 0.78 | EGFR (0.44) | ALDH1A1HPGDPOLBKMT2ASMN1; SMN2 | |
| SCHEMBL366735 | 0.77 | HTT (0.48) | ALDH1A1HTTHPGDLMNAPOLB | |
| Potassium Ion SCHEMBL364867 | 0.75 | ALDH1A1 (0.40) | ALDH1A1HTTHPGDLMNAPOLB | |
| SCHEMBL365547 | 0.75 | ALDH1A1 (0.45) | ALDH1A1HTTHPGDLMNAPOLB | |
| SCHEMBL364281 | 0.74 | NR4A2 (0.48) | ALDH1A1LMNAPOLBTHRBKMT2A | |
| SCHEMBL366442 | 0.74 | ALDH1A1 (0.42) | ALDH1A1HTTHPGDLMNAPOLB | |
| SCHEMBL364389 | 0.73 | ALDH1A1 (0.48) | ALDH1A1HTTHPGDLMNAPOLB | |
| SCHEMBL366978 | 0.73 | SCN9A (0.45) | ALDH1A1HPGDKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012007007-A1 | INHIBITORS OF HDME | EPITHERAPEUTICS APS (DK) | 2012-01-19 | — | — | WO | claimed |
| WO-2012007007-A1 | INHIBITORS OF HDME | EPITHERAPEUTICS APS (DK) | 2012-01-19 | — | — | WO | disclosed |