Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | NAAA | Q02083 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 4/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 7/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7772397 | 0.88 | ALDH1A1 (0.54) | ALDH1A1ATMNAAATSHRHPGD | |
| SCHEMBL2400945 | 0.82 | NAAA (0.53) | ALDH1A1ATMNAAATSHRHCAR2 | |
| SCHEMBL5815254 | 0.80 | HTR2C (0.40) | ALDH1A1ATMNAAATSHRESR1 | |
| SCHEMBL8407694 | 0.78 | ALDH1A1 (0.44) | ALDH1A1ATMNAAATSHRHPGD | |
| SCHEMBL288939 | 0.78 | ALDH1A1 (0.52) | ALDH1A1ATMNAAATSHRHPGD | |
| SCHEMBL27728052 | 0.77 | CTSD (0.42) | ALDH1A1ATMTSHRHPGDCYP1A2 | |
| SCHEMBL855004 | 0.76 | ALDH1A1 (0.50) | ALDH1A1ATMNAAATSHRHPGD | |
| SCHEMBL6212156 | 0.75 | TSHR (0.49) | ALDH1A1ATMNAAATSHRHPGD | |
| SCHEMBL8555916 | 0.74 | HCAR2 (0.40) | ALDH1A1ATMTSHRHCAR2ESR1 | |
| SCHEMBL10877124 | 0.74 | NAAA (0.48) | ALDH1A1NAAATSHRHCAR2ESR1 |
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-103270024-B | Novel substituted isoquinoline derivative | WESTERN THERAPEUTICS INST INC | 2015-07-08 | — | — | CN | disclosed |