Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.33 |
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | BCHE | P06276 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.32 |
| ▸ | POLB | P06746 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | HTR2B | P41595 | 1/20 | 0.32 |
| ▸ | NQO2 | P16083 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9511322 | 0.73 | GAA (0.50) | ALDH1A1KMT2AMEN1HPGDKDM4E | |
| SCHEMBL9698848 | 0.70 | NOX1 (0.42) | ALDH1A1KMT2ABCHEACHEPOLB | |
| SCHEMBL14339474 | 0.67 | KDM4E (0.50) | ALDH1A1LMNAKMT2AACHEPOLB | |
| SCHEMBL9510026 | 0.67 | AHR (0.39) | ALDH1A1LMNAKMT2AMEN1BCHE | |
| SCHEMBL17485910 | 0.66 | ACHE (0.43) | ALDH1A1LMNAKMT2AMEN1ACHE | |
| SCHEMBL7867604 | 0.66 | — | — | |
| SCHEMBL29422790 | 0.65 | CYP3A4 (0.46) | ALDH1A1BCHEACHEHPGDKDM4E | |
| SCHEMBL4571012 | 0.65 | CYP3A4 (0.46) | ALDH1A1BCHEACHEHPGDKDM4E | |
| SCHEMBL1201869 | 0.65 | CYP3A4 (0.46) | ALDH1A1BCHEACHEHPGDKDM4E | |
| SCHEMBL9510022 | 0.64 | HSD17B10 (0.43) | ALDH1A1LMNAKMT2AMEN1ACHE |
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 |