Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 6/20 | 0.54 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.54 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.35 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.35 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.35 |
| ▸ | DAO | P14920 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11229901 | 0.88 | CYP2A6 (0.54) | CYP1A2CYP2A6NR4A2KMT2AATM | |
| SCHEMBL10344365 | 0.78 | TSHR (0.44) | CYP1A2CYP2A6KMT2AALDH1A1CYP3A4 | |
| SCHEMBL345543 | 0.78 | TSHR (0.43) | CYP1A2KMT2AALDH1A1CYP2C19POLB | |
| SCHEMBL1584001 | 0.77 | TSHR (0.43) | CYP1A2CYP2A6KMT2AALDH1A1CYP3A4 | |
| SCHEMBL11165205 | 0.77 | ALDH1A1 (0.45) | CYP1A2KMT2AALDH1A1HDAC4CYP3A4 | |
| SCHEMBL1465308 | 0.76 | TSHR (0.41) | CYP1A2KMT2AALDH1A1MAPTMEN1 | |
| SCHEMBL7513507 | 0.76 | TSHR (0.41) | CYP1A2KMT2AALDH1A1CYP2C19POLB | |
| SCHEMBL7518790 | 0.76 | TSHR (0.41) | CYP1A2KMT2AALDH1A1CYP2C19POLB | |
| SCHEMBL1465303 | 0.76 | TSHR (0.41) | CYP1A2KMT2AALDH1A1CYP2C19POLB | |
| SCHEMBL28190517 | 0.76 | TSHR (0.41) | CYP1A2KMT2AALDH1A1CYP2C19POLB |
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 |
|---|---|---|---|---|---|---|---|
| EP-4110397-A1 | SYSTEMS AND METHODS FOR PROTECTING NUCLEIC-ACID MOLECULES | The Board of Trustees of the Leland Stanford Junior University (US) | 2023-01-04 | — | — | EP | disclosed |