Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 7/20 | 0.43 |
| ▸ | TSHR | P16473 | 5/20 | 0.43 |
| ▸ | HPGD | P15428 | 5/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | RECQL | P46063 | 2/20 | 0.36 |
| ▸ | TTR | P02766 | 2/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9510026 | 0.74 | AHR (0.39) | HSD17B10TSHRHPGDMAPK1CYP3A4 | |
| SCHEMBL11707798 | 0.67 | CYP3A4 (0.46) | HSD17B10TSHRHPGDMAPK1CYP3A4 | |
| SCHEMBL68191 | 0.66 | HSD17B10 (0.77) | HSD17B10TSHRHPGDMAPK1CYP3A4 | |
| SCHEMBL9508879 | 0.65 | ALDH1A1 (0.39) | CYP3A4ALDH1A1 | |
| SCHEMBL9508910 | 0.64 | ALDH1A1 (0.36) | HPGDMAPK1ALDH1A1ALOX12CYP2C19 | |
| SCHEMBL9508863 | 0.64 | KMT2A (0.33) | HPGDCYP3A4MEN1KMT2A | |
| SCHEMBL9508968 | 0.64 | MEN1 (0.33) | HPGDCYP3A4MEN1KMT2A | |
| SCHEMBL11595271 | 0.62 | CD44 (0.35) | MAPK1CYP3A4ALOX15CHRM1TBXA2R | |
| SCHEMBL7867604 | 0.62 | — | — | |
| SCHEMBL9510057 | 0.62 | — | — |
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 |