Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 4/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 4/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.41 |
| ▸ | TDO2 | P48775 | 3/20 | 0.41 |
| ▸ | CNR1 | P21554 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL29248173 | 0.97 | TSHR (0.44) | TSHRHIF1AMAPK1TDP1LMNA | |
| Hydrochloric Acid SCHEMBL29248251 | 0.95 | IDO1 (0.43) | TSHRHIF1AMAPK1TDP1LMNA | |
| Hydrochloric Acid SCHEMBL29248199 | 0.95 | IDO1 (0.43) | TSHRHIF1AMAPK1TDP1LMNA | |
| SCHEMBL7670364 | 0.85 | PGK1 (0.35) | — | |
| SCHEMBL9470689 | 0.77 | LMNA (0.50) | TSHRHIF1AMAPK1TDP1LMNA | |
| SCHEMBL17816190 | 0.77 | TSHR (0.50) | TSHRHIF1AMAPK1TDP1LMNA | |
| SCHEMBL20187508 | 0.75 | ADRB2 (0.48) | TSHRHIF1AMAPK1TDP1LMNA | |
| SCHEMBL31065350 | 0.74 | TSHR (0.42) | TSHRHIF1AMAPK1TDP1LMNA | |
| SCHEMBL3973319 | 0.72 | ESR1 (0.50) | TSHRHIF1ATDP1LMNAHPGD | |
| SCHEMBL21875043 | 0.72 | IDO1 (0.35) | IDO1 |
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-116535285-A | Photocatalytic benzyl position C (sp 3 ) Method for functionalization of Cl bonds and use thereof | 中国科学院理化技术研究所 | 2023-08-04 | — | — | CN | disclosed |