Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PNMT | P11086 | 2/20 | 0.50 |
| ▸ | HTR3E | A5X5Y0 | 3/20 | 0.49 |
| ▸ | HTR3B | O95264 | 3/20 | 0.49 |
| ▸ | HTR3A | P46098 | 3/20 | 0.49 |
| ▸ | HTR3D | Q70Z44 | 3/20 | 0.49 |
| ▸ | HTR3C | Q8WXA8 | 3/20 | 0.49 |
| ▸ | IDO1 | P14902 | 4/20 | 0.45 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.44 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.44 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | AGXT | P21549 | 2/20 | 0.43 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28345923 | 0.81 | TAAR1 (0.46) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL28343164 | 0.80 | TAAR1 (0.44) | IDO1TAAR1RIPK1AGXT | |
| SCHEMBL28343170 | 0.80 | TAAR1 (0.44) | IDO1TAAR1RIPK1AGXT | |
| SCHEMBL3476733 | 0.79 | RIPK1 (0.54) | PNMTHTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL28345994 | 0.78 | SLC6A2 (0.54) | TAAR1CYP3A4 | |
| SCHEMBL21313898 | 0.78 | RIPK1 (0.52) | PNMTRIPK1 | |
| SCHEMBL28345941 | 0.78 | TAAR1 (0.53) | IDO1TAAR1GRIN2BCYP3A4AGXT | |
| SCHEMBL8324906 | 0.77 | MAOB (0.52) | PNMTHTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL5222434 | 0.77 | SLC6A2 (0.59) | PNMTHTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL73643 | 0.76 | PNMT (0.54) | PNMTHTR3EHTR3BHTR3AHTR3D |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110590627-B | Synthesis method of 3-aryl thiopropionamide derivative | 温州大学 | 2022-01-14 | — | — | CN | disclosed |
| CN-110590627-A | Synthesis method of 3-aryl thiopropionamide derivative | 温州大学 | 2019-12-20 | — | — | CN | disclosed |