Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.45 |
| ▸ | TSHR | P16473 | 3/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.45 |
| ▸ | MGLL | Q99685 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | CNR1 | P21554 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | DGKA | P23743 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | TOP2A | P11388 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL10666125 | 0.82 | POLB (0.49) | TSHRALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL8757353 | 0.82 | ALDH1A1 (0.51) | TDP1TSHRALDH1A1MEN1KMT2A | |
| SCHEMBL1131772 | 0.78 | ALDH1A1 (0.49) | TSHRL3MBTL1ALDH1A1MEN1KMT2A | |
| SCHEMBL852873 | 0.77 | TSHR (0.50) | TDP1TSHRL3MBTL1ALDH1A1MEN1 | |
| SCHEMBL4821584 | 0.77 | MEN1 (0.42) | TSHRL3MBTL1ALDH1A1MAPTMEN1 | |
| Benzene SCHEMBL27602098 | 0.77 | DGKA (0.63) | TDP1TSHRL3MBTL1MGLLALDH1A1 | |
| Toluene SCHEMBL28574254 | 0.76 | TSHR (0.53) | TDP1TSHRL3MBTL1ALDH1A1MEN1 | |
| Toluene SCHEMBL28074309 | 0.76 | DGKA (0.55) | TDP1TSHRL3MBTL1ALDH1A1MEN1 | |
| SCHEMBL16673027 | 0.76 | LTA4H (0.61) | TDP1TSHRL3MBTL1MAPTGAA | |
| SCHEMBL7616480 | 0.76 | CFTR (0.50) | TDP1TSHRL3MBTL1ALDH1A1MEN1 |
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-2011029099-A1 | COMPOUNDS FOR TREATING DISORDERS OR DISEASES ASSOCIATED WITH NEUROKININ 2 RECEPTOR ACTIVITY | UNITED PARAGON ASSOCIATES INC. (CA) | 2011-03-10 | — | — | WO | disclosed |