Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.55 |
| ▸ | MIF | P14174 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.42 |
| ▸ | MAPT | P10636 | 5/20 | 0.42 |
| ▸ | HPGD | P15428 | 4/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | G6PD | P11413 | 1/20 | 0.41 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.41 |
| ▸ | AHR | P35869 | 1/20 | 0.41 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.41 |
| ▸ | SAE1 | Q9UBE0 | 1/20 | 0.41 |
| ▸ | UBA2 | Q9UBT2 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | CRHBP | P24387 | 1/20 | 0.41 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL11118149 | 0.88 | SMN1; SMN2 (0.50) | HSD17B10MIFSMN1; SMN2POLBALDH1A1 | |
| SCHEMBL5115377 | 0.79 | PARP1 (0.51) | SMN1; SMN2POLBALDH1A1MAPTHPGD | |
| Methane SCHEMBL27594830 | 0.78 | MAPT (0.50) | SMN1; SMN2POLBALDH1A1MAPTHPGD | |
| SCHEMBL11714259 | 0.78 | HSPB1 (0.47) | MIFSMN1; SMN2POLBALDH1A1MAPT | |
| SCHEMBL4012568 | 0.77 | MAPT (0.41) | HSD17B10MIFSMN1; SMN2POLBALDH1A1 | |
| SCHEMBL749155 | 0.76 | CRHBP (0.53) | HSD17B10SMN1; SMN2ALDH1A1MAPTHPGD | |
| SCHEMBL3065870 | 0.74 | HPGD (0.43) | HSD17B10SMN1; SMN2POLBALDH1A1MAPT | |
| SCHEMBL13698355 | 0.74 | EGFR (0.47) | HSD17B10MIFSMN1; SMN2POLBALDH1A1 | |
| SCHEMBL9507633 | 0.73 | AHR (0.39) | HSD17B10SMN1; SMN2ALDH1A1MAPTHPGD | |
| SCHEMBL3083218 | 0.72 | MAPT (0.55) | SMN1; SMN2POLBALDH1A1MAPTHPGD |
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 |