Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CD44 | P16070 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.46 |
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.37 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | APOBEC3G | Q9HC16 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | G6PD | P11413 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL16182536 | 0.86 | CYP3A4 (0.57) | CD44CYP3A4TSHRMAPK1NPC1 | |
| SCHEMBL15797787 | 0.80 | NPC1 (0.35) | CD44CYP3A4TSHRMAPK1NPC1 | |
| SCHEMBL29388988 | 0.75 | CYP3A4 (0.73) | CD44CYP3A4TSHRMAPK1ALDH1A1 | |
| SCHEMBL121858 | 0.75 | CYP3A4 (0.73) | CD44CYP3A4TSHRMAPK1ALDH1A1 | |
| SCHEMBL15797794 | 0.74 | CYP3A4 (0.38) | CYP3A4TSHRMAPK1NPC1RAB9A | |
| SCHEMBL11374139 | 0.74 | USP2 (0.47) | CD44CYP3A4TSHRMAPK1NPC1 | |
| SCHEMBL6516671 | 0.73 | CYP3A4 (0.38) | CYP3A4TSHRMAPK1NPC1RAB9A | |
| Hydrochloric Acid SCHEMBL5897246 | 0.72 | CYP3A4 (0.69) | CD44CYP3A4TSHRMAPK1ALDH1A1 | |
| Ammonia Solution, Strong SCHEMBL8322764 | 0.72 | CYP3A4 (0.69) | CD44CYP3A4TSHRMAPK1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL5897252 | 0.72 | CYP3A4 (0.69) | CD44CYP3A4TSHRMAPK1ALDH1A1 |
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-4259344-A | FUNGICIDES, ANTHELMINTICS | CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA R.T. (HU) | 1981-03-31 | — | — | US | disclosed |