Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.44 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 2/20 | 0.43 |
| ▸ | AGXT | P21549 | 2/20 | 0.43 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.39 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.39 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | C1S | P09871 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL27983857 | 0.85 | RIPK1 (0.52) | TAAR1RIPK1IDO1AGXTPARP15 | |
| SCHEMBL28345923 | 0.81 | TAAR1 (0.46) | TAAR1IDO1CYP1A2PARP1 | |
| SCHEMBL28343170 | 0.80 | TAAR1 (0.44) | TAAR1RIPK1IDO1AGXTPARP10 | |
| SCHEMBL28346002 | 0.80 | PNMT (0.50) | TAAR1RIPK1IDO1AGXT | |
| SCHEMBL28345994 | 0.78 | SLC6A2 (0.54) | TAAR1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL23123860 | 0.78 | RIPK1 (0.52) | TAAR1RIPK1MAOB | |
| SCHEMBL28345941 | 0.78 | TAAR1 (0.53) | TAAR1IDO1AGXTMAOB | |
| SCHEMBL2456214 | 0.77 | TAAR1 (0.57) | TAAR1RIPK1IDO1AGXTCYP1A2 | |
| SCHEMBL1811937 | 0.77 | TAAR1 (0.47) | TAAR1RIPK1IDO1AGXTCYP1A2 | |
| SCHEMBL9173585 | 0.77 | TAAR1 (0.47) | TAAR1RIPK1IDO1AGXTCYP1A2 |
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 |