Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 4/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL10039555 | 0.80 | ALDH1A1 (0.58) | ALDH1A1SMN1; SMN2MAPTTSHRNPC1 | |
| SCHEMBL21781787 | 0.76 | NPC1 (0.36) | ALDH1A1KDM4ESMN1; SMN2MAPTNPC1 | |
| SCHEMBL30988369 | 0.76 | NPC1 (0.36) | ALDH1A1KDM4ESMN1; SMN2MAPTNPC1 | |
| SCHEMBL16530356 | 0.75 | ALDH1A1 (0.49) | ALDH1A1KDM4ESMN1; SMN2MAPTTSHR | |
| SCHEMBL21781790 | 0.75 | NPC1 (0.36) | ALDH1A1KDM4ESMN1; SMN2MAPTNPC1 | |
| SCHEMBL29948421 | 0.74 | GAA (0.41) | ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A | |
| SCHEMBL2255760 | 0.72 | ALDH1A1 (0.44) | ALDH1A1MAPTTSHRCYP3A4CYP2D6 | |
| SCHEMBL13103706 | 0.72 | GAA (0.45) | ALDH1A1SMN1; SMN2MAPTTSHRNPC1 | |
| SCHEMBL23467066 | 0.71 | MAPT (0.50) | ALDH1A1KDM4ESMN1; SMN2MAPTCYP3A4 | |
| SCHEMBL13103709 | 0.71 | CYP3A4 (0.40) | ALDH1A1KDM4ESMN1; SMN2MAPTTSHR |
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-2008075040-A2 | IN VIVO IMAGING AGENTS | GE HEALTHCARE LIMITED (GB) | 2008-06-26 | — | — | WO | disclosed |