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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | MMP1 | P03956 | 1/20 | 0.43 |
| ▸ | MMP9 | P14780 | 1/20 | 0.43 |
| ▸ | MMP13 | P45452 | 1/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.42 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.42 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL27310687 | 0.87 | NPC1 (0.51) | ALDH1A1PARP10NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL30927804 | 0.82 | BLM (0.63) | ALDH1A1PARP10POLBNPC1RAB9A | |
| SCHEMBL9515271 | 0.81 | BLM (0.46) | ALDH1A1POLBSMN1; SMN2MAPK1TDP1 | |
| SCHEMBL27344680 | 0.80 | MMP13 (0.44) | PARP10MMP13EPHX2 | |
| SCHEMBL27353106 | 0.80 | PARP10 (0.54) | ALDH1A1PARP10POLBNPC1RAB9A | |
| SCHEMBL27309675 | 0.80 | PARP10 (0.57) | PARP10RAB9ASMN1; SMN2L3MBTL1 | |
| SCHEMBL27322135 | 0.79 | ADAMTS4 (0.48) | ALDH1A1NPC1RAB9ASMN1; SMN2MAPK1 | |
| Hydrochloric Acid SCHEMBL27353104 | 0.78 | PARP10 (0.56) | PARP10RAB9ASMN1; SMN2L3MBTL1 | |
| SCHEMBL27311683 | 0.78 | PPARG (0.53) | ALDH1A1PARP10SMN1; SMN2L3MBTL1BLM | |
| SCHEMBL27344679 | 0.77 | CYP24A1 (0.44) | ALDH1A1POLBNPC1TDP1MMP1 |
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-1027588-C | Process for the preparation of N-phenylalkyl substituted alpha-aminocarboxamide derivatives | ERBA CARLO SPA (IT) | 1995-02-08 | — | — | CN | disclosed |
| CN-1047496-A | The preparation method of the alpha-amino group Carboxylamide derivatives that N-benzene alkyl replaces | ERBA CARLO SPA (IT) | 1990-12-05 | — | — | CN | disclosed |