Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 3/20 | 0.47 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 4/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | CA5A | P35218 | 2/20 | 0.42 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 3/20 | 0.36 |
| ▸ | MMP1 | P03956 | 1/20 | 0.36 |
| ▸ | MMP2 | P08253 | 1/20 | 0.36 |
| ▸ | MMP9 | P14780 | 1/20 | 0.36 |
| ▸ | MMP8 | P22894 | 1/20 | 0.36 |
| ▸ | MMP13 | P45452 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Benzene SCHEMBL4447245 | 1.00 | CA2 (0.47) | CA2KEAP1TSHRSMN1; SMN2KDM4E | |
| Benzene SCHEMBL27730377 | 0.96 | CA2 (0.44) | CA2KEAP1TSHRSMN1; SMN2KDM4E | |
| Benzene SCHEMBL27291825 | 0.96 | CA2 (0.44) | CA2KEAP1TSHRSMN1; SMN2KDM4E | |
| Benzene SCHEMBL28043681 | 0.96 | CA2 (0.44) | CA2KEAP1TSHRSMN1; SMN2KDM4E | |
| Benzene SCHEMBL27737819 | 0.96 | CA2 (0.44) | CA2KEAP1TSHRSMN1; SMN2KDM4E | |
| Benzene SCHEMBL28015929 | 0.96 | CA2 (0.44) | CA2KEAP1TSHRSMN1; SMN2KDM4E | |
| Benzene SCHEMBL27352826 | 0.96 | CA2 (0.44) | CA2KEAP1TSHRSMN1; SMN2KDM4E | |
| Benzene SCHEMBL27655222 | 0.96 | CA2 (0.44) | CA2KEAP1TSHRSMN1; SMN2KDM4E | |
| Benzene SCHEMBL27300339 | 0.96 | CA2 (0.44) | CA2KEAP1TSHRSMN1; SMN2KDM4E | |
| Benzene SCHEMBL27377506 | 0.96 | CA2 (0.44) | CA2KEAP1TSHRSMN1; SMN2KDM4E |
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-110506057-A | ALPHA synuclein antibody and application thereof | SQUIBB BRISTOL MYERS COMPANY | 2019-11-26 | — | — | CN | disclosed |