Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S100B | P04271 | 1/20 | 0.87 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.64 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.62 |
| ▸ | MEN1 | O00255 | 2/20 | 0.62 |
| ▸ | TP53 | P04637 | 1/20 | 0.57 |
| ▸ | GAA | P10253 | 1/20 | 0.57 |
| ▸ | POLB | P06746 | 1/20 | 0.56 |
| ▸ | F2 | P00734 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL1304849 | 0.93 | S100B (1.00) | S100BALDH1A1KMT2AMEN1TP53 | |
| SCHEMBL12112149 | 0.83 | S100B (0.72) | S100BALDH1A1KMT2AMEN1TP53 | |
| SCHEMBL12112151 | 0.77 | ALDH1A1 (0.81) | S100BALDH1A1KMT2AMEN1TP53 | |
| SCHEMBL6466850 | 0.72 | GAA (1.00) | ALDH1A1KMT2AMEN1GAAPOLB | |
| SCHEMBL19334500 | 0.72 | ALDH1A1 (0.67) | ALDH1A1KMT2AMEN1TP53TSHR | |
| SCHEMBL5050992 | 0.71 | TSHR (0.76) | ALDH1A1KMT2AMEN1TP53GAA | |
| SCHEMBL11887626 | 0.71 | TSHR (0.71) | ALDH1A1GAAPOLBF2TSHR | |
| SCHEMBL28880300 | 0.71 | TSHR (0.81) | ALDH1A1KMT2AMEN1TP53GAA | |
| SCHEMBL14428441 | 0.71 | FPR2 (0.88) | ALDH1A1KMT2AMEN1POLBTSHR | |
| SCHEMBL28880361 | 0.70 | KDM4E (1.00) | ALDH1A1KMT2AMEN1TP53GAA |
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 |
|---|---|---|---|---|---|---|---|
| US-8053477-B2 | Including but hot limited to pentamidine and derivatives thereof | UNIVERSITY OF MARYLAND, BALTIMORE (US) | 2011-11-08 | — | — | US | disclosed |