Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | MAPT | P10636 | 4/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 5/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 4/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.35 |
| ▸ | NSD2 | O96028 | 1/20 | 0.35 |
| ▸ | EGFR | P00533 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL18831391 | 0.82 | ALDH1A1 (0.50) | ALDH1A1MAPTGAALMNAMEN1 | |
| SCHEMBL5642052 | 0.82 | MAPT (0.55) | ALDH1A1MAPTGAAKDM4ELMNA | |
| SCHEMBL19786 | 0.78 | MAPT (0.46) | ALDH1A1MAPTGAAKDM4ELMNA | |
| SCHEMBL2314697 | 0.77 | TSHR (0.47) | ALDH1A1MAPTGAAKDM4ELMNA | |
| SCHEMBL2091657 | 0.77 | ALDH1A1 (0.41) | ALDH1A1MAPTLMNAMEN1KMT2A | |
| SCHEMBL2091660 | 0.77 | ALDH1A1 (0.41) | ALDH1A1MAPTLMNAMEN1KMT2A | |
| SCHEMBL3787606 | 0.76 | MAPT (0.44) | ALDH1A1MAPTGAAKDM4ELMNA | |
| Hydrochloric Acid SCHEMBL28477496 | 0.76 | GAA (0.42) | ALDH1A1MAPTGAAKDM4EKMT2A | |
| SCHEMBL112040 | 0.76 | — | — | |
| SCHEMBL2089203 | 0.76 | MEN1 (0.46) | ALDH1A1MAPTGAAKDM4ELMNA |
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-110803992-B | Preparation method of 3-nitro-4-fluoroacetophenone acetate | 暨明医药科技（苏州）有限公司 | 2022-06-24 | — | — | CN | disclosed |
| WO-2018081456-A1 | HIGHLY ACTIVE SELF-SUFFICIENT NITRATION BIOCATALYSTS | UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) | 2018-05-03 | — | — | WO | disclosed |