Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | VCAM1 | P19320 | 5/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | FLT1 | P17948 | 1/20 | 0.37 |
| ▸ | AHR | P35869 | 1/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.36 |
| ▸ | PGK1 | P00558 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL10688958 | 0.81 | AHR (0.54) | ALDH1A1CYP3A4TSHRMAPK1VCAM1 | |
| SCHEMBL9509955 | 0.76 | GPR35 (0.42) | ALDH1A1CYP3A4TSHRMAPK1LMNA | |
| SCHEMBL9511385 | 0.74 | AHR (0.60) | FLT1AHR | |
| SCHEMBL9180125 | 0.73 | TSHR (0.62) | ALDH1A1CYP3A4TSHRMAPK1VCAM1 | |
| SCHEMBL9508159 | 0.72 | AHR (0.36) | ALDH1A1CYP3A4TSHRMAPK1VCAM1 | |
| SCHEMBL359519 | 0.71 | TSHR (0.60) | ALDH1A1CYP3A4TSHRMAPK1VCAM1 | |
| SCHEMBL10928322 | 0.70 | MAPT (0.68) | ALDH1A1CYP3A4TSHRMAPK1VCAM1 | |
| SCHEMBL20505550 | 0.70 | MAPT (0.68) | ALDH1A1CYP3A4TSHRMAPK1TDP1 | |
| SCHEMBL1626066 | 0.69 | TSHR (0.58) | ALDH1A1CYP3A4TSHRMAPK1VCAM1 | |
| SCHEMBL30953145 | 0.69 | TSHR (0.58) | ALDH1A1CYP3A4TSHRMAPK1VCAM1 |
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 |