Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 1/20 | 0.59 |
| ▸ | TSHR | P16473 | 4/20 | 0.55 |
| ▸ | HIF1A | Q16665 | 4/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.55 |
| ▸ | IDO1 | P14902 | 3/20 | 0.48 |
| ▸ | TDO2 | P48775 | 3/20 | 0.48 |
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.40 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1732927 | 0.79 | ADRB2 (0.62) | ADRB2TSHRHIF1AMAPK1TDP1 | |
| SCHEMBL3678300 | 0.79 | ADRB2 (0.62) | ADRB2TSHRHIF1AMAPK1TDP1 | |
| SCHEMBL1155851 | 0.79 | ADRB2 (0.62) | ADRB2TSHRHIF1AMAPK1TDP1 | |
| SCHEMBL24017052 | 0.79 | ADRB2 (0.62) | ADRB2TSHRHIF1AMAPK1TDP1 | |
| SCHEMBL3253726 | 0.79 | ADRB2 (0.62) | ADRB2TSHRHIF1AMAPK1TDP1 | |
| Hydrochloric Acid SCHEMBL3179658 | 0.77 | ADRB2 (0.59) | ADRB2TSHRHIF1AMAPK1TDP1 | |
| Hydrochloric Acid SCHEMBL30098243 | 0.77 | ADRB2 (0.59) | ADRB2TSHRHIF1AMAPK1TDP1 | |
| SCHEMBL1573440 | 0.75 | TSHR (0.60) | ADRB2TSHRHIF1AMAPK1TDP1 | |
| SCHEMBL7562082 | 0.75 | TSHR (0.60) | ADRB2TSHRHIF1AMAPK1TDP1 | |
| SCHEMBL6403156 | 0.74 | ACHE (0.44) | ADRB2TDP1LMNACYP19A1MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-117209383-B | Preparation method of phenylenediamine | 天津深蓝化工技术有限公司 | 2024-01-23 | — | — | CN | disclosed |
| CN-117209383-A | Preparation method of phenylenediamine | 天津深蓝化工技术有限公司 | 2023-12-12 | — | — | CN | disclosed |