Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RHEB | Q15382 | 2/20 | 0.32 |
| ▸ | AHR | P35869 | 3/20 | 0.32 |
| ▸ | FLT1 | P17948 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | STK39 | Q9UEW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL9510063 | 0.79 | AHR (0.36) | AHRFLT1 | |
| SCHEMBL9508070 | 0.70 | AHR (0.40) | AHRFLT1 | |
| SCHEMBL9511385 | 0.68 | AHR (0.60) | AHRFLT1 | |
| SCHEMBL9511203 | 0.65 | AHR (0.34) | AHRFLT1 | |
| SCHEMBL9508936 | 0.64 | AHR (0.35) | AHRFLT1MEN1KMT2A | |
| SCHEMBL9510046 | 0.63 | CYP1A2 (0.43) | CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL11432939 | 0.63 | RHEB (0.53) | RHEBCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL9511235 | 0.63 | MEN1 (0.37) | AHRFLT1CYP3A4MEN1KMT2A | |
| SCHEMBL9699717 | 0.63 | CYP1A2 (0.41) | RHEBCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL9511341 | 0.61 | AHR (0.50) | AHRFLT1CYP3A4 |
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 |