Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | TSHR | P16473 | 4/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | BCHE | P06276 | 1/20 | 0.39 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.35 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.35 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8321789 | 0.79 | ALDH1A1 (0.58) | ALDH1A1TSHRMAPK1GAAMAPT | |
| SCHEMBL26253773 | 0.79 | ALDH1A1 (0.58) | ALDH1A1TSHRMAPK1GAAMAPT | |
| SCHEMBL8543593 | 0.76 | ALDH1A1 (0.46) | ALDH1A1TSHRMAPK1GAAMAPT | |
| SCHEMBL725217 | 0.75 | ALDH1A1 (0.53) | ALDH1A1TSHRMAPK1GAAMAPT | |
| SCHEMBL3508595 | 0.75 | ALDH1A1 (0.53) | ALDH1A1TSHRMAPK1GAAMAPT | |
| SCHEMBL17941715 | 0.75 | ALDH1A1 (0.53) | ALDH1A1TSHRMAPK1GAAMAPT | |
| SCHEMBL8281045 | 0.75 | TSHR (0.45) | ALDH1A1TSHRMAPK1GAAMAPT | |
| SCHEMBL17195397 | 0.74 | HTT (0.56) | ALDH1A1TSHRMAPK1GAAMAPT | |
| SCHEMBL8171042 | 0.74 | ALDH1A1 (0.49) | ALDH1A1TSHRMAPK1GAAMAPT | |
| SCHEMBL122771 | 0.74 | HTT (0.68) | ALDH1A1TSHRMAPK1GAAMAPT |
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-2023177845-A1 | PROCESS OF MAKING DERIVATIVES OF SUBSTITUTED MORPHOLINES | SUPERNUS PHARMACEUTICALS, INC. (US) | 2023-09-21 | — | — | WO | disclosed |