Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | HTR4 | Q13639 | 4/20 | 0.37 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.37 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.36 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
| ▸ | HTR1D | P28221 | 1/20 | 0.36 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.36 |
| ▸ | HTR2B | P41595 | 1/20 | 0.36 |
| ▸ | HTR3A | P46098 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | APP | P05067 | 1/20 | 0.35 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.34 |
| ▸ | ABL1 | P00519 | 1/20 | 0.34 |
| ▸ | EGFR | P00533 | 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 | |
|---|---|---|---|---|
| SCHEMBL28824462 | 1.00 | ALDH1A1 (0.41) | ALDH1A1CYP3A4TSHRHSD17B10TDP1 | |
| SCHEMBL20156021 | 0.83 | ALDH1A1 (0.41) | ALDH1A1CYP3A4TSHRHSD17B10TDP1 | |
| SCHEMBL15938741 | 0.80 | FFAR1 (0.43) | ALDH1A1CYP3A4TSHRHSD17B10TDP1 | |
| SCHEMBL15938810 | 0.80 | FFAR1 (0.43) | ALDH1A1CYP3A4TSHRHSD17B10TDP1 | |
| SCHEMBL15938742 | 0.80 | FFAR1 (0.43) | ALDH1A1CYP3A4TSHRHSD17B10TDP1 | |
| SCHEMBL15937995 | 0.79 | PIK3CA (0.46) | ALDH1A1HSD11B1PIK3CA | |
| SCHEMBL15938452 | 0.79 | PIK3CA (0.46) | ALDH1A1HSD11B1PIK3CA | |
| SCHEMBL15937994 | 0.79 | PIK3CA (0.46) | ALDH1A1HSD11B1PIK3CA | |
| SCHEMBL28044002 | 0.77 | ALDH1A1 (0.39) | ALDH1A1CYP3A4TSHRHSD17B10TDP1 | |
| SCHEMBL28179420 | 0.75 | ALDH1A1 (0.48) | ALDH1A1CYP3A4TSHRHSD17B10TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105188371-A | Erk inhibitors and uses thereof | CELGENE AVILOMICS RES INC | 2015-12-23 | — | — | CN | disclosed |