Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.46 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.46 |
| ▸ | LDHA | P00338 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | BCHE | P06276 | 1/20 | 0.43 |
| ▸ | OGT | O15294 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | MIF | P14174 | 1/20 | 0.41 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.41 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL10120532 | 0.89 | NOTUM (0.42) | ABCG2KDM4EBCHEOGTMEN1 | |
| SCHEMBL1694971 | 0.87 | LDHA (0.53) | ABCG2ABCB1LDHAKDM4EBCHE | |
| SCHEMBL21044565 | 0.82 | OGT (0.53) | ABCG2ABCB1ALDH1A1KDM4EHPGD | |
| SCHEMBL1694856 | 0.80 | KDM4E (0.55) | ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2 | |
| SCHEMBL1695207 | 0.76 | KMO (0.51) | LDHABCHEMEN1KMT2AMIF | |
| SCHEMBL1694849 | 0.75 | OGT (0.48) | ALDH1A1KDM4EOGTMEN1KMT2A | |
| SCHEMBL13188224 | 0.73 | GRM2 (0.55) | ALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL4265804 | 0.70 | ALDH1A1 (0.57) | ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2 | |
| SCHEMBL2467305 | 0.70 | ALDH1A1 (0.65) | ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2 | |
| SCHEMBL72379 | 0.70 | KDM4E (0.70) | ALDH1A1KDM4EHPGDHSD17B10MEN1 |
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-2012006068-A2 | COMPOUNDS FOR THE INHIBITION OF CELLULAR PROLIFERATION | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2012-01-12 | — | — | WO | disclosed |