Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.79 |
| ▸ | PTGS1 | P23219 | 6/20 | 0.70 |
| ▸ | PTGS2 | P35354 | 10/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.62 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.62 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.62 |
| ▸ | HTR1A | P08908 | 1/20 | 0.62 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.62 |
| ▸ | MC4R | P32245 | 1/20 | 0.62 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL5071823 | 0.89 | KMT2A (1.00) | KMT2APTGS1PTGS2ALDH1A1ABCB11 | |
| SCHEMBL25409790 | 0.84 | KMT2A (0.81) | KMT2APTGS1PTGS2ALDH1A1ABCB11 | |
| SCHEMBL6188862 | 0.82 | KMT2A (0.79) | KMT2APTGS1PTGS2ALDH1A1ABCB11 | |
| SCHEMBL6509069 | 0.82 | PTGS1 (1.00) | KMT2APTGS1PTGS2ALDH1A1ABCB11 | |
| SCHEMBL5545944 | 0.82 | KMT2A (0.79) | KMT2APTGS1PTGS2ALDH1A1ABCB11 | |
| SCHEMBL6508487 | 0.82 | KMT2A (0.79) | KMT2APTGS1PTGS2ALDH1A1ABCB11 | |
| SCHEMBL5549767 | 0.82 | KMT2A (0.79) | KMT2APTGS1PTGS2ALDH1A1ABCB11 | |
| SCHEMBL13743029 | 0.82 | KMT2A (0.79) | KMT2APTGS1PTGS2ALDH1A1ABCB11 | |
| SCHEMBL6179919 | 0.81 | PTGS2 (0.78) | PTGS1PTGS2ALDH1A1ABCB11MT-CO2 | |
| SCHEMBL26996609 | 0.81 | KMT2A (0.76) | KMT2APTGS1PTGS2ALDH1A1ABCB11 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2287327-A1 | In vitro anti tumor compound toxicity screening methods | Ceetox Inc. (US) | 2011-02-23 | — | — | EP | disclosed |