Known targets — ChEMBL curated mechanism
FGFR1FGFR2FGFR3FGFR4FLT1FLT4KDRPDGFRAPDGFRB
The experimentally established mechanism targets of Benzene. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | KEAP1 | Q14145 | 2/20 | 0.38 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Sulfuric Acid SCHEMBL9324944 | 0.91 | HSP90AA1 (0.43) | TSHRALDH1A1GLASMN1; SMN2HSP90AA1 | |
| Ethylbenzene SCHEMBL9196990 | 0.87 | POLB (0.44) | TSHRALDH1A1GLASMN1; SMN2HSP90AA1 | |
| SCHEMBL124582 | 0.87 | NPSR1 (0.46) | TSHRALDH1A1GLASMN1; SMN2HSP90AA1 | |
| SCHEMBL9743711 | 0.87 | NPSR1 (0.46) | TSHRALDH1A1GLASMN1; SMN2HSP90AA1 | |
| Hydrochloric Acid SCHEMBL9194071 | 0.85 | NPSR1 (0.44) | TSHRALDH1A1GLASMN1; SMN2HSP90AA1 | |
| SCHEMBL9874763 | 0.84 | TSHR (0.55) | TSHRALDH1A1SMN1; SMN2HSP90AA1L3MBTL1 | |
| Ethylene SCHEMBL973759 | 0.83 | NPSR1 (0.43) | TSHRALDH1A1GLASMN1; SMN2HSP90AA1 | |
| SCHEMBL9873784 | 0.82 | TAS2R14 (0.44) | TSHRALDH1A1SMN1; SMN2L3MBTL1KEAP1 | |
| SCHEMBL9875339 | 0.81 | KEAP1 (0.52) | TSHRALDH1A1SMN1; SMN2L3MBTL1TP53 | |
| SCHEMBL9193674 | 0.81 | TSHR (0.42) | TSHRSMN1; SMN2L3MBTL1KEAP1NFE2L2 |
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-110467537-A | A kind of preparation process of D-HPG | HENAN NEWLAND PHARM CO LTD | 2019-11-19 | — | — | CN | claimed |
| CN-110467537-A | A kind of preparation process of D-HPG | HENAN NEWLAND PHARM CO LTD | 2019-11-19 | — | — | CN | disclosed |