Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 5/20 | 0.36 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.33 |
| ▸ | TSHR | P16473 | 3/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.33 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.33 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.33 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.33 |
| ▸ | PDE7A | Q13946 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 3/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9509955 | 0.75 | GPR35 (0.42) | AHRGPR35ALDH1A1TSHRTDP1 | |
| SCHEMBL9510161 | 0.72 | ALDH1A1 (0.46) | AHRGPR35ALDH1A1TSHRTDP1 | |
| SCHEMBL9511385 | 0.65 | AHR (0.60) | AHR | |
| SCHEMBL10684800 | 0.65 | AHR (0.59) | AHRALDH1A1TSHRTDP1CYP3A4 | |
| SCHEMBL9510055 | 0.65 | AHR (0.33) | AHR | |
| SCHEMBL29783588 | 0.65 | TSHR (0.56) | GPR35ALDH1A1TSHRTDP1CYP3A4 | |
| SCHEMBL3240210 | 0.65 | TSHR (0.56) | GPR35ALDH1A1TSHRTDP1CYP3A4 | |
| SCHEMBL10688958 | 0.65 | AHR (0.54) | AHRGPR35ALDH1A1TSHRTDP1 | |
| SCHEMBL17820600 | 0.64 | AHR (0.39) | AHRGPR35ALDH1A1TSHRTDP1 | |
| SCHEMBL9507701 | 0.64 | AHR (0.38) | AHRALDH1A1CYP3A4HPGDMAPK1 |
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 |