Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.55 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | APP | P05067 | 4/20 | 0.44 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | EP300 | Q09472 | 1/20 | 0.37 |
| ▸ | KAT8 | Q9H7Z6 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1979959 | 0.82 | ALDH1A1 (0.57) | ALDH1A1CYP3A4TDP1TSHRHSD17B10 | |
| SCHEMBL8211026 | 0.82 | ALDH1A1 (0.57) | ALDH1A1CYP3A4TDP1TSHRHSD17B10 | |
| SCHEMBL29763986 | 0.80 | ALDH1A1 (0.55) | ALDH1A1CYP3A4TDP1TSHRHSD17B10 | |
| Hydrochloric Acid SCHEMBL11087037 | 0.80 | ALDH1A1 (0.57) | ALDH1A1CYP3A4TDP1TSHRHSD17B10 | |
| SCHEMBL30236 | 0.80 | ALDH1A1 (0.55) | ALDH1A1CYP3A4TDP1TSHRHSD17B10 | |
| SCHEMBL11357016 | 0.78 | GRM4 (0.45) | ALDH1A1TDP1TSHRHSD17B10HTT | |
| SCHEMBL7606311 | 0.77 | ALDH1A1 (0.52) | ALDH1A1CYP3A4TDP1TSHRHSD17B10 | |
| SCHEMBL14243083 | 0.77 | ALDH1A1 (0.52) | ALDH1A1CYP3A4TDP1TSHRHSD17B10 | |
| SCHEMBL8022330 | 0.76 | ALDH1A1 (0.50) | ALDH1A1CYP3A4TDP1TSHRHSD17B10 | |
| SCHEMBL3796082 | 0.76 | ALDH1A1 (0.61) | ALDH1A1CYP3A4TDP1TSHRHSD17B10 |
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-7452901-B2 | Anti-cancer phosphonate analogs | GILEAD SCIENCES, INC. (US) | 2008-11-18 | — | — | US | disclosed |