Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.34 |
| ▸ | CA12 | O43570 | 2/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 2/20 | 0.32 |
| ▸ | CA7 | P43166 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2648388 | 0.85 | DGAT1 (0.42) | TSHRDGAT1CYP2D6HDAC3HDAC1 | |
| SCHEMBL10833684 | 0.84 | TDP1 (0.38) | TSHRHSD17B10DGAT1CYP2D6HDAC3 | |
| SCHEMBL1186918 | 0.80 | — | — | |
| SCHEMBL241533 | 0.80 | DGAT1 (0.46) | TSHRDGAT1CYP2D6HDAC3HDAC1 | |
| SCHEMBL182237 | 0.79 | TDP1 (0.41) | DGAT1CYP2D6HDAC3HDAC1HDAC2 | |
| Bromide SCHEMBL8558052 | 0.78 | TSHR (0.48) | TSHRHSD17B10DGAT1CYP2D6HDAC3 | |
| Methyl Alcohol SCHEMBL27995686 | 0.78 | DGAT1 (0.44) | TSHRDGAT1CYP2D6HDAC3HDAC1 | |
| SCHEMBL25275143 | 0.77 | DGAT1 (0.37) | TSHRDGAT1CYP2D6HDAC3HDAC1 | |
| SCHEMBL5691337 | 0.77 | GAA (0.42) | DGAT1CYP2D6HDAC3HDAC1HDAC2 | |
| SCHEMBL7107983 | 0.77 | FAAH (0.44) | DGAT1CYP2D6CA2CA12CA14 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010040989-A1 | QUINOLIN-2-ONE COMPOUNDS | ARGENTA ORAL THERAPEUTICS LIMITED (GB) | 2010-04-15 | — | — | WO | disclosed |
| US-4616084-A | Process for the preparation of 7-acylamino-3-hydroxy-cephem-4-carboxylic acids and 7-acylamino-3-hydroxy-1-dethia-1-oxacephem-4-carboxylic acids | BAYER AKTIENGESELLSCHAFT (DE) | 1986-10-07 | — | — | US | disclosed |