Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 5/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | NPY1R | P25929 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.31 |
| ▸ | G6PD | P11413 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | CASP3 | P42574 | 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 | |
|---|---|---|---|---|
| SCHEMBL107210 | 0.88 | ALDH1A1 (0.35) | PDK1TSHRALDH1A1TDP1MEN1 | |
| SCHEMBL10293225 | 0.87 | PDK1 (0.33) | PDK1TSHRALDH1A1TDP1HPGD | |
| SCHEMBL9280441 | 0.84 | PDK1 (0.33) | PDK1TSHRALDH1A1TDP1CYP3A4 | |
| SCHEMBL178363 | 0.81 | FABP3 (0.49) | PDK1TSHRALDH1A1TDP1CYP3A4 | |
| SCHEMBL5388305 | 0.81 | FABP3 (0.49) | PDK1TSHRALDH1A1TDP1CYP3A4 | |
| Silver SCHEMBL5376950 | 0.81 | FABP3 (0.34) | PDK1TSHRALDH1A1TDP1CYP3A4 | |
| SCHEMBL9004845 | 0.81 | ALDH1A1 (0.39) | TSHRALDH1A1TDP1CYP3A4MAPT | |
| SCHEMBL5376952 | 0.80 | FABP3 (0.47) | PDK1TSHRALDH1A1TDP1CYP3A4 | |
| SCHEMBL15097625 | 0.80 | — | — | |
| SCHEMBL9004707 | 0.78 | FABP4 (0.45) | PDK1TSHRALDH1A1TDP1CYP3A4 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-4077458-A | — | — | None | — | — | JP | disclosed |
| EP-0575852-B1 | Process for preparing dinitro-polyalkyl-benzenes | BAYER AG (DE) | 1996-10-09 | — | — | EP | disclosed |
| US-5367108-A | Process for the preparation of dinitro-polyalkylbenzenes | BAYER AKTIENGESELLSCHAFT (DE) | 1994-11-22 | — | — | US | disclosed |
| EP-0575852-A1 | Process for preparing dinitro-polyalkyl-benzenes | BAYER AG (DE) | 1993-12-29 | — | — | EP | disclosed |
| JP-H0477458-A | PRODUCTION OF 2,4-DINITRO-1,3,5-TRIISOPROPYLBENZENE | MITSUI TOATSU CHEM INC | 1992-03-11 | — | — | JP | disclosed |