Known targets — ChEMBL curated mechanism
ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of 4-Nitroaniline. 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 | 0.58 |
| ▸ | ACHE | P22303 | 2/20 | 0.58 |
| ▸ | NT5E | P21589 | 2/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.58 |
| ▸ | TSHR | P16473 | 1/20 | 0.58 |
| ▸ | PKM | P14618 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.50 |
| ▸ | ESR1 | P03372 | 2/20 | 0.50 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.50 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.50 |
| ▸ | CXCR5 | P32302 | 1/20 | 0.50 |
| ▸ | APLNR | P35414 | 1/20 | 0.50 |
| ▸ | CCR6 | P51684 | 1/20 | 0.50 |
| ▸ | GFER | P55789 | 1/20 | 0.50 |
| ▸ | BCHE | P06276 | 1/20 | 0.49 |
| ▸ | CA12 | O43570 | 2/20 | 0.49 |
| ▸ | CA1 | P00915 | 2/20 | 0.49 |
| ▸ | CA2 | P00918 | 2/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL19272432 | 0.92 | ACHE (0.69) | ALDH1A1ACHEHSD17B10PKMKMT2A | |
| SCHEMBL11821857 | 0.86 | TSHR (0.78) | ALDH1A1ACHENT5ETSHRKMT2A | |
| SCHEMBL11782818 | 0.86 | TSHR (0.78) | ALDH1A1ACHENT5ETSHRKMT2A | |
| SCHEMBL8421197 | 0.86 | TSHR (0.78) | ALDH1A1ACHENT5ETSHRKMT2A | |
| 4-Nitrotoluene SCHEMBL9065867 | 0.86 | ALDH1A1 (0.78) | ALDH1A1ACHEHSD17B10TSHRPKM | |
| Sulfanilamide SCHEMBL27822353 | 0.85 | CA1 (0.70) | ALDH1A1ACHEHSD17B10TSHRPKM | |
| 4-Nitrotoluene SCHEMBL6481181 | 0.85 | ACHE (0.60) | ALDH1A1ACHEHSD17B10TSHRPKM | |
| Nitrobenzene SCHEMBL660753 | 0.83 | ACHE (0.57) | ALDH1A1ACHEHSD17B10TSHRPKM | |
| P-Nitrophenol SCHEMBL9470520 | 0.83 | ACHE (0.56) | ALDH1A1ACHEHSD17B10PKMKMT2A | |
| Hydrazine SCHEMBL10869731 | 0.82 | CA2 (0.63) | ALDH1A1NT5ETSHRCA12CA1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4119620-A | Novel dipeptide derivatives, salts thereof, and method of measuring enzyme activity | AJINOMOTO CO., INC. (JP) | 1978-10-10 | — | — | US | claimed |
| CN-111172234-B | Glycylproline dipeptide aminopeptidase assay kit | 浙江夸克生物科技有限公司 | 2023-05-16 | — | — | CN | disclosed |
| CN-109580505-B | Stabilizer composition | 北京九强生物技术股份有限公司 | 2021-05-18 | — | — | CN | disclosed |
| CN-111172234-A | Glycylproline dipeptide aminopeptidase determination kit | 浙江夸克生物科技有限公司 | 2020-05-19 | — | — | CN | disclosed |
| US-5945374-A | CATIONIC DYE | EASTMAN KODAK COMPANY (US) | 1999-08-31 | — | — | US | disclosed |
| US-4191808-A | DIPEPTIDE CONTAINING PROLINE AND A PHOTOMETRICALLY DETECTABLE NITROANILINE, PHENYLAZOANILINE OR PHENYLAZONAPHTHYLAMINE GROUP | AJINOMOTO CO., INC. (JP) | 1980-03-04 | — | — | US | disclosed |
| US-4119620-A | Novel dipeptide derivatives, salts thereof, and method of measuring enzyme activity | AJINOMOTO CO., INC. (JP) | 1978-10-10 | — | — | US | disclosed |