Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.56 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.56 |
| ▸ | RXRA | P19793 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.51 |
| ▸ | MAPT | P10636 | 7/20 | 0.51 |
| ▸ | MEN1 | O00255 | 6/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | NPC1 | O15118 | 4/20 | 0.51 |
| ▸ | HPGD | P15428 | 4/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.51 |
| ▸ | RAB9A | P51151 | 3/20 | 0.51 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.51 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.51 |
| ▸ | RELA | Q04206 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 3/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL4216615 | 1.00 | CYP2A6 (0.56) | CYP2A6IMPDH2RXRAKMT2AMAPT | |
| SCHEMBL30345109 | 1.00 | CYP2A6 (0.56) | CYP2A6IMPDH2RXRAKMT2AMAPT | |
| SCHEMBL4072087 | 1.00 | CYP2A6 (0.56) | CYP2A6IMPDH2RXRAKMT2AMAPT | |
| Tryptamine SCHEMBL4977403 | 0.84 | PMP22 (0.62) | CYP2A6IMPDH2KMT2AMAPTALDH1A1 | |
| Tryptamine SCHEMBL4977400 | 0.84 | PMP22 (0.62) | CYP2A6IMPDH2KMT2AMAPTALDH1A1 | |
| SCHEMBL5147034 | 0.81 | NR4A2 (0.44) | CYP2A6IMPDH2RXRAKMT2AMAPT | |
| SCHEMBL2537810 | 0.81 | IMPDH2 (0.44) | CYP2A6IMPDH2RXRAKMT2AMAPT | |
| SCHEMBL2537812 | 0.81 | IMPDH2 (0.44) | CYP2A6IMPDH2RXRAKMT2AMAPT | |
| SCHEMBL5147033 | 0.81 | NR4A2 (0.44) | CYP2A6IMPDH2RXRAKMT2AMAPT | |
| SCHEMBL10489040 | 0.80 | CYP2A6 (0.69) | CYP2A6IMPDH2KMT2AMAPTMEN1 |
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-110191885-B | Alkoxy bis-heteroaryl derivatives as modulators of protein aggregation | UCB生物制药私人有限公司 | 2023-05-16 | — | — | CN | disclosed |