Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PNMT | P11086 | 2/20 | 0.55 |
| ▸ | IDO1 | P14902 | 4/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | AGXT | P21549 | 2/20 | 0.45 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.39 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.38 |
| ▸ | TACR1 | P25103 | 2/20 | 0.37 |
| ▸ | CTSL | P07711 | 1/20 | 0.37 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.36 |
| ▸ | HTR3B | O95264 | 2/20 | 0.36 |
| ▸ | HTR3A | P46098 | 2/20 | 0.36 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.36 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.36 |
| ▸ | MAOB | P27338 | 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 | |
|---|---|---|---|---|
| SCHEMBL28397707 | 0.83 | PNMT (0.47) | PNMTIDO1CYP3A4AGXTTAAR1 | |
| SCHEMBL29170716 | 0.82 | PNMT (0.40) | PNMT | |
| SCHEMBL388942 | 0.82 | EPHX1 (0.48) | TAAR1 | |
| SCHEMBL21367138 | 0.74 | CYP3A4 (0.56) | PNMTIDO1CYP3A4AGXTTAAR1 | |
| SCHEMBL30363681 | 0.72 | PNMT (1.00) | PNMTIDO1CYP3A4AGXTTAAR1 | |
| SCHEMBL266685 | 0.72 | PNMT (1.00) | PNMTIDO1CYP3A4AGXTTAAR1 | |
| SCHEMBL14478283 | 0.72 | PNMT (1.00) | PNMTIDO1CYP3A4AGXTTAAR1 | |
| SCHEMBL10862912 | 0.72 | PNMT (0.60) | PNMTIDO1CYP3A4AGXTTAAR1 | |
| SCHEMBL15413373 | 0.72 | TAAR1 (0.46) | PNMTIDO1CYP3A4AGXTTAAR1 | |
| SCHEMBL7392343 | 0.71 | AOC3 (0.46) | PNMTIDO1CYP3A4AGXTAOC3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113544131-B | Pyrrolo-heterocyclic derivative, preparation method and medical application thereof | 江苏恒瑞医药股份有限公司 | 2024-03-15 | — | — | CN | disclosed |
| CN-116437915-A | Crystal form of pyrrolo-heterocyclic derivative and preparation method thereof | 江苏恒瑞医药股份有限公司 | 2023-07-14 | — | — | CN | disclosed |
| CN-114315837-B | Crystalline forms of ERK inhibitors and methods of making the same | 江苏恒瑞医药股份有限公司 | 2023-06-16 | — | — | CN | disclosed |