Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.57 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.43 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.43 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.40 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.40 |
| ▸ | PGR | P06401 | 1/20 | 0.40 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.40 |
| ▸ | AR | P10275 | 1/20 | 0.40 |
| ▸ | THRA | P10827 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28345919 | 0.81 | TAAR1 (0.50) | TAAR1MEN1ALDH1A1MAPTKMT2A | |
| SCHEMBL8241364 | 0.80 | TAAR1 (0.57) | TAAR1SIGMAR1PYCR1RIPK1KMT2A | |
| SCHEMBL28343168 | 0.80 | TAAR1 (0.57) | TAAR1SIGMAR1RIPK1MEN1KMT2A | |
| SCHEMBL28346001 | 0.80 | TAAR1 (0.57) | TAAR1SIGMAR1PYCR1 | |
| SCHEMBL8175846 | 0.79 | TAAR1 (0.55) | TAAR1MEN1ALDH1A1LMNAMAPT | |
| SCHEMBL28345992 | 0.78 | ALDH1A1 (0.50) | TAAR1ALDH1A1MAPTKMT2AFFAR1 | |
| SCHEMBL28345940 | 0.78 | AOC3 (0.56) | TAAR1SIGMAR1IDO1AGXTPOLB | |
| SCHEMBL27683233 | 0.77 | TAAR1 (0.57) | TAAR1SIGMAR1FFAR1FFAR4ESR1 | |
| SCHEMBL16335080 | 0.74 | TAAR1 (0.53) | TAAR1SIGMAR1FFAR1FFAR4ESR1 | |
| SCHEMBL4234560 | 0.74 | ALDH1A1 (0.60) | TAAR1ALDH1A1LMNAMAPTFFAR1 |
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 |