Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | ERN1 | O75460 | 5/20 | 0.37 |
| ▸ | PRKDC | P78527 | 1/20 | 0.36 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.35 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.35 |
| ▸ | GRIA3 | P42263 | 1/20 | 0.35 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL19760899 | 0.86 | ALDH1A1 (0.38) | ALDH1A1SMN1; SMN2TSHRERN1PRKDC | |
| SCHEMBL17408849 | 0.86 | ALDH1A1 (0.38) | ALDH1A1SMN1; SMN2TSHRERN1PRKDC | |
| SCHEMBL28578293 | 0.81 | ALDH1A1 (0.34) | ALDH1A1SMN1; SMN2TSHRERN1PRKDC | |
| SCHEMBL14901949 | 0.77 | ERN1 (0.52) | ALDH1A1SMN1; SMN2TSHRERN1PRKDC | |
| SCHEMBL2474437 | 0.77 | CYP1A2 (0.44) | ALDH1A1SMN1; SMN2TSHRERN1PRKDC | |
| SCHEMBL356846 | 0.74 | TSHR (0.40) | ALDH1A1TSHRLMNACYP1A2CYP3A4 | |
| SCHEMBL16229132 | 0.74 | ERN1 (0.48) | ALDH1A1TSHRERN1LMNACYP1A2 | |
| SCHEMBL22128474 | 0.74 | ALDH1A1 (0.35) | ALDH1A1SMN1; SMN2TSHRERN1PRKDC | |
| SCHEMBL16830969 | 0.74 | ERN1 (0.44) | ALDH1A1SMN1; SMN2TSHRERN1PRKDC | |
| SCHEMBL25612184 | 0.74 | ERN1 (0.43) | ALDH1A1TSHRERN1PRKDCGRIA1 |
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-2004073612-A2 | ESTROGEN RECEPTOR MODULATORS | MERCK & CO. INC. (US) | 2004-09-02 | — | — | WO | disclosed |