Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | MC4R | P32245 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CRHBP | P24387 | 1/20 | 0.40 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.40 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL29575512 | 0.84 | LMNA (0.45) | TSHRLMNAALDH1A1GAAPOLB | |
| SCHEMBL1226094 | 0.81 | MEN1 (0.49) | TSHRLMNAALDH1A1GAAMEN1 | |
| SCHEMBL9136161 | 0.80 | KCNH2 (0.49) | TSHRLMNAALDH1A1MEN1KMT2A | |
| SCHEMBL8950931 | 0.80 | CYP1A2 (0.50) | ALDH1A1MAPTCYP1A2 | |
| SCHEMBL3091161 | 0.76 | TSHR (0.53) | TSHRLMNAALDH1A1MEN1KMT2A | |
| SCHEMBL8102675 | 0.75 | GSK3B (0.53) | TSHRLMNAALDH1A1GAAMAPT | |
| SCHEMBL10436410 | 0.75 | CPA1 (0.57) | TSHRLMNAALDH1A1MEN1KMT2A | |
| SCHEMBL9010658 | 0.75 | KCNH2 (0.52) | CA2KCNH2 | |
| SCHEMBL10999834 | 0.74 | MEN1 (0.51) | TSHRLMNAALDH1A1MAPTMEN1 | |
| SCHEMBL1857686 | 0.73 | LMNA (0.50) | TSHRLMNAALDH1A1MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-114560781-A | Preparation method of N, N-bis (2-chloroethyl) -4-nitrophenylalanine methyl ester | 无锡捷化医药科技有限公司 | 2022-05-31 | — | — | CN | disclosed |