Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S100A4 | P26447 | 6/20 | 0.71 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | APAF1 | O14727 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | GUCY1B2 | O75343 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | GUCY1A2 | P33402 | 1/20 | 0.50 |
| ▸ | GUCY1A1 | Q02108 | 1/20 | 0.50 |
| ▸ | GUCY1B1 | Q02153 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | TDP2 | O95551 | 4/20 | 0.49 |
| ▸ | NSD2 | O96028 | 4/20 | 0.49 |
| ▸ | NQO1 | P15559 | 3/20 | 0.43 |
| ▸ | G6PD | P11413 | 1/20 | 0.41 |
| ▸ | PAX8 | Q06710 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL2599211 | 0.83 | S100A4 (1.00) | S100A4ALDH1A1APAF1MEN1GUCY1B2 | |
| SCHEMBL458428 | 0.81 | S100A4 (0.68) | S100A4ALDH1A1APAF1MEN1GUCY1B2 | |
| SCHEMBL15698467 | 0.78 | S100A4 (0.63) | S100A4ALDH1A1APAF1MEN1GUCY1B2 | |
| SCHEMBL7720493 | 0.73 | S100A4 (0.57) | S100A4ALDH1A1APAF1MEN1GUCY1B2 | |
| SCHEMBL12181932 | 0.73 | S100A4 (1.00) | S100A4ALDH1A1MEN1GUCY1B2MAPT | |
| SCHEMBL30587685 | 0.72 | ALDH1A1 (0.79) | S100A4ALDH1A1APAF1MAPTSMN1; SMN2 | |
| SCHEMBL21814444 | 0.72 | ALDH1A1 (0.79) | S100A4ALDH1A1APAF1MAPTSMN1; SMN2 | |
| SCHEMBL3315349 | 0.71 | ALDH1A1 (0.72) | S100A4ALDH1A1APAF1MAPTSMN1; SMN2 | |
| SCHEMBL30587688 | 0.71 | ALDH1A1 (0.72) | S100A4ALDH1A1APAF1MAPTSMN1; SMN2 | |
| SCHEMBL10509896 | 0.70 | KMT2A (0.58) | S100A4ALDH1A1MEN1GUCY1B2MAPT |
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-2011146101-A1 | CHEMICAL AGENTS FOR THE PREVENTION OR INHIBITION OF TUMOR METASTASIS | ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) | 2011-11-24 | — | — | WO | disclosed |