Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.54 |
| ▸ | POLB | P06746 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.48 |
| ▸ | CA3 | P07451 | 2/20 | 0.47 |
| ▸ | CA5A | P35218 | 2/20 | 0.47 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.47 |
| ▸ | CA2 | P00918 | 2/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA4 | P22748 | 1/20 | 0.47 |
| ▸ | CA6 | P23280 | 1/20 | 0.47 |
| ▸ | CA7 | P43166 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
| ▸ | MTNR1A | P48039 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL12317880 | 0.81 | ALDH1A1 (0.60) | ALDH1A1SMN1; SMN2POLBMEN1KMT2A | |
| SCHEMBL14570170 | 0.79 | ALDH1A1 (0.46) | ALDH1A1SMN1; SMN2POLBMEN1KMT2A | |
| SCHEMBL25591299 | 0.78 | ALDH1A1 (0.56) | ALDH1A1SMN1; SMN2POLBMEN1KMT2A | |
| SCHEMBL13861685 | 0.75 | ALDH1A1 (0.79) | ALDH1A1SMN1; SMN2POLBMEN1KMT2A | |
| SCHEMBL1681750 | 0.74 | ALDH1A1 (0.62) | ALDH1A1SMN1; SMN2POLBMEN1KMT2A | |
| SCHEMBL20004079 | 0.74 | CYP2D6 (0.36) | — | |
| SCHEMBL517923 | 0.72 | ALDH1A1 (0.60) | ALDH1A1SMN1; SMN2POLBMEN1KMT2A | |
| SCHEMBL7771469 | 0.72 | ALDH1A1 (0.60) | ALDH1A1SMN1; SMN2POLBMEN1KMT2A | |
| SCHEMBL993779 | 0.72 | EPHX1 (0.69) | ALDH1A1SMN1; SMN2POLBMEN1KMT2A | |
| SCHEMBL8533048 | 0.71 | ALDH1A1 (0.58) | ALDH1A1SMN1; SMN2POLBMEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-2488492-B1 | PROTECTED AMINE LABELS AND USE IN DETECTING ANALYTES | DANA FARBER CANCER INST INC (US) | 2016-01-13 | — | — | EP | disclosed |