Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.59 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.55 |
| ▸ | MEN1 | O00255 | 4/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.49 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.49 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.49 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.49 |
| ▸ | HNF4A | P41235 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | MITF | O75030 | 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 | |
|---|---|---|---|---|
| SCHEMBL18813656 | 0.85 | GPR52 (0.59) | GPR52BCAT2MEN1KMT2AALDH1A1 | |
| SCHEMBL27574463 | 0.81 | MAPT (0.64) | GPR52BCAT2MEN1KMT2AALDH1A1 | |
| SCHEMBL7864455 | 0.80 | BCAT2 (0.59) | GPR52BCAT2MEN1KMT2AALDH1A1 | |
| SCHEMBL28993895 | 0.79 | RECQL (0.59) | GPR52BCAT2MEN1KMT2AALDH1A1 | |
| SCHEMBL5180034 | 0.78 | BCAT2 (0.57) | GPR52BCAT2MEN1KMT2AALDH1A1 | |
| SCHEMBL31521259 | 0.78 | BCAT2 (0.57) | GPR52BCAT2MEN1KMT2AALDH1A1 | |
| Biphenyl SCHEMBL28611778 | 0.76 | ALDH1A1 (0.63) | MEN1KMT2AALDH1A1CYP2C9HPGD | |
| Biphenyl SCHEMBL10898338 | 0.76 | ALDH1A1 (0.63) | MEN1KMT2AALDH1A1CYP2C9HPGD | |
| Biphenyl SCHEMBL5421614 | 0.76 | ALDH1A1 (0.63) | MEN1KMT2AALDH1A1CYP2C9HPGD | |
| Biphenyl SCHEMBL9816554 | 0.76 | ALDH1A1 (0.63) | MEN1KMT2AALDH1A1CYP2C9HPGD |
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-106860441-B | Application of 4-oxo-2-butenamide derivative in preparation of bacteriostatic agent | 中国医学科学院医药生物技术研究所 | 2019-12-31 | — | — | CN | disclosed |