Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.45 |
| ▸ | ALDH1A3 | P47895 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL16415681 | 0.85 | ALDH1A1 (0.51) | ALDH1A1SMN1; SMN2LMNAMAPTHPGD | |
| SCHEMBL4964458 | 0.83 | ALDH1A1 (0.52) | ALDH1A1SMN1; SMN2LMNAMAPTHPGD | |
| SCHEMBL17816428 | 0.81 | ALDH1A1 (0.44) | ALDH1A1SMN1; SMN2LMNAMAPTHPGD | |
| SCHEMBL6386806 | 0.77 | ALDH1A1 (0.46) | ALDH1A1SMN1; SMN2LMNAMAPTHPGD | |
| SCHEMBL342467 | 0.77 | NQO1 (0.64) | ALDH1A1SMN1; SMN2LMNAMAPTHPGD | |
| SCHEMBL17816429 | 0.73 | ALDH1A1 (0.58) | ALDH1A1SMN1; SMN2LMNAMAPTHPGD | |
| SCHEMBL510500 | 0.73 | ALDH1A1 (0.73) | ALDH1A1SMN1; SMN2LMNAMAPTHPGD | |
| SCHEMBL541949 | 0.73 | ALDH1A1 (0.68) | ALDH1A1SMN1; SMN2LMNAMAPTHPGD | |
| Benzene SCHEMBL28240834 | 0.73 | RELA (0.66) | ALDH1A1SMN1; SMN2LMNAMAPTHPGD | |
| SCHEMBL14134159 | 0.73 | ALDH1A1 (0.68) | ALDH1A1SMN1; SMN2LMNAMAPTHPGD |
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-2015013322-A1 | SILYLALKYLOXYARYL COMPOUNDS AND METHODS FOR TREATING CANCER | THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) | 2015-01-29 | — | — | WO | disclosed |