Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | FBP1 | P09467 | 3/20 | 0.37 |
| ▸ | CES2 | O00748 | 1/20 | 0.37 |
| ▸ | CES1 | P23141 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.36 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.35 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1132752 | 0.78 | CYP1A2 (0.38) | CYP19A1CYP1A2ALDH1A1LMNAFBP1 | |
| SCHEMBL2208136 | 0.72 | CYP1A2 (0.54) | CYP1A2ALDH1A1MAPTKMT2AKCNN4 | |
| SCHEMBL10590638 | 0.71 | ALDH1A1 (0.42) | CYP19A1CYP1A2ALDH1A1LMNAFBP1 | |
| SCHEMBL4821001 | 0.71 | ALDH1A1 (0.42) | CYP19A1CYP1A2ALDH1A1LMNAFBP1 | |
| SCHEMBL4615537 | 0.71 | ALDH1A1 (0.42) | CYP19A1CYP1A2ALDH1A1LMNAFBP1 | |
| SCHEMBL2518120 | 0.71 | CYP1A2 (0.43) | CYP19A1CYP1A2ALDH1A1LMNACES2 | |
| SCHEMBL28071047 | 0.71 | CTSD (0.36) | CYP19A1CYP1A2ALDH1A1LMNAFBP1 | |
| SCHEMBL114442 | 0.70 | ALDH1A1 (0.46) | CYP19A1CYP1A2ALDH1A1LMNAFBP1 | |
| SCHEMBL10811339 | 0.69 | MAPT (0.58) | CYP1A2MAPTKMT2AKCNN4CYP2C9 | |
| SCHEMBL10507150 | 0.68 | CYP19A1 (0.40) | CYP19A1CYP1A2ALDH1A1LMNAFBP1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5489714-A | Method of synthesizing 2,6-dinitro benzyl compounds | PPG INDUSTRIES, INC. (US) | 1996-02-06 | — | — | US | claimed |
| US-5489714-A | Method of synthesizing 2,6-dinitro benzyl compounds | PPG INDUSTRIES, INC. (US) | 1996-02-06 | — | — | US | disclosed |
| US-5449834-A | Method of synthesizing 2,6-dinitro benzyl compounds | PPG INDUSTRIES, INC. (US) | 1995-09-12 | — | — | US | disclosed |