Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MPO | P05164 | 1/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | PLOD2 | O00469 | 2/20 | 0.32 |
| ▸ | PLOD3 | O60568 | 2/20 | 0.32 |
| ▸ | PLOD1 | Q02809 | 2/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL21758828 | 0.80 | MAOA (0.44) | ALDH1A1KMT2AHTT | |
| SCHEMBL11088722 | 0.77 | CYP1A2 (0.48) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL21758757 | 0.77 | GSK3B (0.43) | ALDH1A1CYP2A6KMT2AMEN1 | |
| SCHEMBL21758849 | 0.77 | ALDH1A1 (0.37) | ALDH1A1SMN1; SMN2CYP2A6KMT2AMEN1 | |
| SCHEMBL21758846 | 0.77 | CYP19A1 (0.41) | ALDH1A1CYP1A2CYP3A4KDM4EHIF1A | |
| SCHEMBL21758848 | 0.76 | LOXL2 (0.35) | — | |
| SCHEMBL21758845 | 0.74 | CTSL (0.35) | — | |
| SCHEMBL21758759 | 0.73 | ALDH1A1 (0.37) | ALDH1A1HPGDHTT | |
| SCHEMBL9155329 | 0.72 | NAPRT (0.37) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL13067974 | 0.72 | AAK1 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021221760-A2 | EXPANDING THE CHEMICAL SUBSTRATES FOR GENETIC CODE REPROGRAMMING TO INCLUDE LONG CHAIN CARBON AND CYCLIC AMINO ACIDS | NORTHWESTERN UNIVERSITY (US) | 2021-11-04 | — | — | WO | disclosed |
| WO-2020040840-A2 | EXPANDING THE CHEMICAL SUBSTRATES FOR GENETIC CODE REPROGRAMMING | NORTHWESTERN UNIVERSITY (US) | 2020-02-27 | — | — | WO | disclosed |