Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 7/20 | 0.95 |
| ▸ | MAOB | P27338 | 6/20 | 0.95 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.95 |
| ▸ | CES1 | P23141 | 2/20 | 0.54 |
| ▸ | PRKCI | P41743 | 1/20 | 0.52 |
| ▸ | GRM5 | P41594 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 3/20 | 0.49 |
| ▸ | MIF | P14174 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.46 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.45 |
| ▸ | PARP1 | P09874 | 1/20 | 0.45 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.45 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.45 |
| ▸ | BCHE | P06276 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Cyclopropane SCHEMBL27540682 | 0.98 | MAOA (1.00) | MAOAMAOBCYP2A6CES1PRKCI | |
| SCHEMBL44545 | 0.98 | MAOA (1.00) | MAOAMAOBCYP2A6CES1PRKCI | |
| SCHEMBL29351871 | 0.98 | MAOA (1.00) | MAOAMAOBCYP2A6CES1PRKCI | |
| Hydrochloric Acid SCHEMBL27266731 | 0.95 | MAOA (0.95) | MAOAMAOBCYP2A6CES1PRKCI | |
| SCHEMBL31385562 | 0.95 | MAOA (0.95) | MAOAMAOBCYP2A6CES1PRKCI | |
| SCHEMBL10456794 | 0.93 | MAOA (0.91) | MAOAMAOBCYP2A6CES1PRKCI | |
| SCHEMBL5050048 | 0.93 | MAOA (0.91) | MAOAMAOBCYP2A6CES1PRKCI | |
| SCHEMBL18607288 | 0.93 | MAOA (0.91) | MAOAMAOBCYP2A6CES1PRKCI | |
| SCHEMBL29766301 | 0.93 | MAOA (0.91) | MAOAMAOBCYP2A6CES1PRKCI | |
| SCHEMBL4573854 | 0.93 | MAOA (0.91) | MAOAMAOBCYP2A6CES1PRKCI |
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-111777582-B | 2-fluoroalkyl-3-alkynyl substituted naphthofuran compound and preparation method thereof | 南京工业大学 | 2022-07-26 | — | — | CN | claimed |