Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LCK | P06239 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA3 | P07451 | 1/20 | 0.39 |
| ▸ | CA4 | P22748 | 1/20 | 0.39 |
| ▸ | CA6 | P23280 | 1/20 | 0.39 |
| ▸ | CA5A | P35218 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | DNM1 | Q05193 | 3/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CASP1 | P29466 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL16892353 | 0.87 | CHRM2 (0.42) | LCKALDH1A1TSHRCA12CA2 | |
| SCHEMBL9797780 | 0.85 | TSHR (0.43) | LCKALDH1A1TSHRCA12CA2 | |
| SCHEMBL6608458 | 0.84 | ALDH1A1 (0.44) | LCKALDH1A1TSHRCA12CA2 | |
| SCHEMBL7782415 | 0.82 | ALDH1A1 (0.42) | LCKALDH1A1TSHRCA12CA2 | |
| SCHEMBL11050233 | 0.81 | LCK (0.61) | LCKALDH1A1TSHRHPGDDNM1 | |
| SCHEMBL11344509 | 0.81 | LCK (0.61) | LCKALDH1A1TSHRHPGDDNM1 | |
| SCHEMBL13609722 | 0.81 | TSHR (0.52) | LCKALDH1A1TSHRHPGDDNM1 | |
| SCHEMBL150143 | 0.79 | — | — | |
| SCHEMBL18281275 | 0.79 | TSHR (0.48) | LCKALDH1A1TSHRCA12CA2 | |
| SCHEMBL2654845 | 0.79 | ALDH1A1 (0.36) | LCKALDH1A1TSHRHPGDCHRM2 |
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-2860212-A1 | New amine composition | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2015-04-15 | — | — | EP | disclosed |