Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.62 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.61 |
| ▸ | KCNH2 | Q12809 | 9/20 | 0.44 |
| ▸ | SCN2B | O60939 | 1/20 | 0.40 |
| ▸ | SCN1A | P35498 | 1/20 | 0.40 |
| ▸ | SCN1B | Q07699 | 1/20 | 0.40 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.40 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.40 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.40 |
| ▸ | UBE2N | P61088 | 1/20 | 0.39 |
| ▸ | RORC | P51449 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8418393 | 0.81 | ALDH1A1 (0.65) | ALDH1A1KCNH2 | |
| SCHEMBL2134631 | 0.78 | KDM4E (0.67) | ALDH1A1KDM4EUBE2N | |
| SCHEMBL3716522 | 0.77 | ALDH1A1 (1.00) | ALDH1A1KDM4EUBE2NKMT2A | |
| SCHEMBL3972960 | 0.77 | ALDH1A1 (0.59) | ALDH1A1KDM4EKCNH2SCN2BSCN1A | |
| SCHEMBL1092202 | 0.76 | ALDH1A1 (1.00) | ALDH1A1KDM4EKMT2A | |
| SCHEMBL3233050 | 0.73 | ALDH1A1 (0.66) | ALDH1A1KDM4EKMT2A | |
| SCHEMBL12182481 | 0.73 | ALDH1A1 (0.65) | ALDH1A1KDM4EKMT2A | |
| SCHEMBL1093920 | 0.73 | ALDH1A1 (0.65) | ALDH1A1KDM4EKMT2A | |
| SCHEMBL27431558 | 0.72 | ALDH1A1 (0.63) | ALDH1A1KDM4EKMT2A | |
| SCHEMBL8238735 | 0.71 | ALDH1A1 (0.66) | ALDH1A1KDM4E |
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-2012101487-A1 | DI/TRI-AZA-SPIRO-C9-C11ALKANES | NOVARTIS AG (CH) | 2012-08-02 | — | — | WO | disclosed |