Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | ERN1 | O75460 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.38 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.38 |
| ▸ | GRIA3 | P42263 | 1/20 | 0.38 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | MPI | P34949 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL23181289 | 0.91 | ALDH1A1 (0.44) | ALDH1A1TSHRERN1SMN1; SMN2CYP1A2 | |
| SCHEMBL30600409 | 0.87 | ALDH1A1 (0.50) | ALDH1A1TSHRERN1SMN1; SMN2CYP1A2 | |
| SCHEMBL446933 | 0.87 | ALDH1A1 (0.50) | ALDH1A1TSHRERN1SMN1; SMN2CYP1A2 | |
| SCHEMBL24383847 | 0.85 | ALDH1A1 (0.47) | ALDH1A1TSHRERN1SMN1; SMN2CYP1A2 | |
| SCHEMBL26704208 | 0.84 | TDP1 (0.38) | ALDH1A1TSHRERN1KDM4ETDP1 | |
| SCHEMBL22672777 | 0.84 | TDP1 (0.38) | ALDH1A1TSHRERN1KDM4ETDP1 | |
| SCHEMBL19235516 | 0.80 | ERN1 (0.34) | ALDH1A1TSHRERN1SMN1; SMN2GRIA1 | |
| SCHEMBL20687220 | 0.78 | CYP1A2 (0.39) | ALDH1A1TSHRERN1SMN1; SMN2CYP1A2 | |
| SCHEMBL97117 | 0.76 | GRIA1 (0.52) | ALDH1A1TSHRERN1SMN1; SMN2CYP1A2 | |
| SCHEMBL713770 | 0.76 | CYP3A4 (0.35) | TSHRCYP3A4TDP1 |
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-2017135471-A1 | INTEGRIN α4β7 INHIBITOR | ＥＡファーマ株式会社 | 2017-08-10 | — | — | WO | disclosed |