Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABL1 | P00519 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | AHR | P35869 | 1/20 | 0.38 |
| ▸ | MRGPRX4 | Q96LA9 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9511441 | 0.76 | GAA (0.45) | ABL1ALDH1A1CA12CA9NR4A2 | |
| SCHEMBL9511327 | 0.76 | GAA (0.45) | ABL1ALDH1A1CA12CA9NR4A2 | |
| SCHEMBL9508195 | 0.75 | AHR (0.38) | ALDH1A1MAPTKDM4ESMN1; SMN2AHR | |
| SCHEMBL9508904 | 0.72 | AHR (0.38) | MAPTKDM4EAHRFLT1 | |
| SCHEMBL4363906 | 0.71 | ABL1 (0.62) | ABL1ALDH1A1NR4A2LMNAMEN1 | |
| SCHEMBL608814 | 0.71 | ABL1 (0.68) | ABL1ALDH1A1NR4A2MEN1MAPT | |
| SCHEMBL11300844 | 0.70 | ABL1 (0.61) | ABL1ALDH1A1NR4A2LMNAMEN1 | |
| SCHEMBL70011 | 0.69 | GAA (0.58) | ABL1ALDH1A1CA12CA9NR4A2 | |
| SCHEMBL16724062 | 0.69 | SLC6A4 (0.43) | ABL1ALDH1A1NR4A2LMNAMEN1 | |
| SCHEMBL9699563 | 0.68 | AHR (0.43) | KDM4EAHRFLT1MAPK1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0399293-B1 | PROCESS FOR PREPARING 2-CHLORO-4-NITRO-ALKYLBENZENE | BAYER AG (DE) | 1993-09-01 | — | — | EP | disclosed |
| US-5095157-A | Friedel-crafts catalyst | BAYER AKTIENGESELLSCHAFT (DE) | 1992-03-10 | — | — | US | disclosed |
| EP-0399293-A1 | Process for preparing 2-chloro-4-nitro-alkylbenzene | BAYER AG (DE) | 1990-11-28 | — | — | EP | disclosed |