Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 2/20 | 0.65 |
| ▸ | MAOB | P27338 | 2/20 | 0.65 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.45 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.45 |
| ▸ | LIMK1 | P53667 | 4/20 | 0.44 |
| ▸ | RPS6KA3 | P51812 | 2/20 | 0.44 |
| ▸ | CDC25B | P30305 | 1/20 | 0.44 |
| ▸ | TNF | P01375 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.39 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL19764657 | 1.00 | MAOA (0.65) | MAOAMAOBCYP19A1CYP11B2LIMK1 | |
| SCHEMBL14380259 | 1.00 | MAOA (0.65) | MAOAMAOBCYP19A1CYP11B2LIMK1 | |
| SCHEMBL12854062 | 0.88 | RPS6KA3 (0.56) | MAOAMAOBRPS6KA3TNFALDH1A1 | |
| SCHEMBL3066734 | 0.88 | MAOA (0.87) | MAOAMAOBLIMK1CDC25BALDH1A1 | |
| SCHEMBL12854064 | 0.88 | RPS6KA3 (0.56) | MAOAMAOBRPS6KA3TNFALDH1A1 | |
| SCHEMBL11369963 | 0.84 | MAOA (0.50) | MAOAMAOBCYP19A1CYP11B2TNF | |
| SCHEMBL19013209 | 0.83 | MAOA (0.87) | MAOAMAOBCDC25BALDH1A1CYP3A4 | |
| SCHEMBL6926901 | 0.83 | MAOA (0.95) | MAOAMAOBCDC25BALDH1A1CYP1A2 | |
| SCHEMBL21726032 | 0.82 | MAOA (0.48) | MAOAMAOBCYP19A1CYP11B2LIMK1 | |
| SCHEMBL12854083 | 0.82 | KDM4E (0.50) | MAOAMAOBLIMK1ALDH1A1CYP1A2 |
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-111777557-B | Novel anti-tumor lead compound with aromatic biphenyl alkene as framework and application thereof | 中国科学院上海有机化学研究所 | 2022-11-22 | — | — | CN | disclosed |
| CN-111777557-A | Novel anti-tumor lead compound with aromatic biphenyl alkene as skeleton and application thereof | 中国科学院上海有机化学研究所 | 2020-10-16 | — | — | CN | disclosed |