Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.52 |
| ▸ | PNMT | P11086 | 2/20 | 0.50 |
| ▸ | LTA4H | P09960 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | IDO1 | P14902 | 2/20 | 0.46 |
| ▸ | AGXT | P21549 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.44 |
| ▸ | RGS4 | P49798 | 1/20 | 0.44 |
| ▸ | RGS8 | P57771 | 1/20 | 0.44 |
| ▸ | DAO | P14920 | 1/20 | 0.44 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.43 |
| ▸ | HTR3B | O95264 | 2/20 | 0.43 |
| ▸ | HTR3A | P46098 | 2/20 | 0.43 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.43 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.43 |
| ▸ | PGR | P06401 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL14685891 | 0.86 | TAAR1 (0.53) | TAAR1PNMTCYP3A4IDO1AGXT | |
| SCHEMBL2093970 | 0.85 | PNMT (0.56) | TAAR1PNMTLTA4HCYP3A4IDO1 | |
| SCHEMBL3300276 | 0.85 | PNMT (0.65) | TAAR1PNMTCYP3A4IDO1AGXT | |
| SCHEMBL23071683 | 0.84 | TAAR1 (0.57) | TAAR1PNMTCYP3A4IDO1AGXT | |
| SCHEMBL27975079 | 0.84 | TAAR1 (0.52) | TAAR1PNMTLTA4HCYP3A4IDO1 | |
| SCHEMBL3301781 | 0.83 | PNMT (0.58) | TAAR1PNMTCYP3A4IDO1AGXT | |
| SCHEMBL8993096 | 0.82 | PNMT (0.52) | TAAR1PNMTLTA4HCYP3A4IDO1 | |
| SCHEMBL15694827 | 0.81 | CALM1 (0.55) | LTA4HPOLBSMN1; SMN2 | |
| SCHEMBL11087087 | 0.81 | LTA4H (0.53) | TAAR1LTA4HIDO1SMN1; SMN2DAO | |
| Ammonia Solution, Strong SCHEMBL18010559 | 0.81 | PNMT (0.56) | TAAR1PNMTCYP3A4IDO1AGXT |
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-2020107987-A1 | ERK INHIBITOR CONTAINING ISOINDOLINE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 中国药科大学 | 2020-06-04 | — | — | WO | disclosed |