Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.46 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.45 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.45 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 4/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9282609 | 0.84 | CYP1A2 (0.54) | CYP1A2TDP1ALDH1A1MAPK1GPR35 | |
| SCHEMBL9001715 | 0.84 | CYP1A2 (0.54) | CYP1A2TDP1ALDH1A1MAPK1GPR35 | |
| SCHEMBL10033263 | 0.81 | CYP1A2 (0.58) | CYP1A2TDP1ALDH1A1MAPK1GPR35 | |
| SCHEMBL27291676 | 0.80 | CYP1A2 (0.57) | CYP1A2TDP1ALDH1A1MAPK1GPR35 | |
| SCHEMBL30496244 | 0.80 | CYP1A2 (0.57) | CYP1A2TDP1ALDH1A1MAPK1GPR35 | |
| SCHEMBL7080582 | 0.80 | CYP1A2 (0.57) | CYP1A2TDP1ALDH1A1MAPK1GPR35 | |
| SCHEMBL7665273 | 0.79 | CYP1A2 (0.64) | CYP1A2TDP1ALDH1A1MAPK1GPR35 | |
| SCHEMBL27961047 | 0.79 | CYP1A2 (0.68) | CYP1A2TDP1ALDH1A1MAPK1GPR35 | |
| SCHEMBL28940902 | 0.78 | ALDH1A1 (0.55) | ALDH1A1HPGDTSHRSMN1; SMN2KMT2A | |
| SCHEMBL28940904 | 0.78 | ALDH1A1 (0.55) | ALDH1A1HPGDTSHRSMN1; SMN2KMT2A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5382702-A | Process for the production of 5-alkoxy-2,4-dinitro-alkylbenzenes | WELLA AKTIENGESELLSCHAFT (DE) | 1995-01-17 | — | — | US | disclosed |