Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 6/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | CASP3 | P42574 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.32 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 2/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL10087749 | 0.90 | TDP1 (0.38) | ALDH1A1TDP1TSHRMAPTNPC1 | |
| SCHEMBL12548643 | 0.85 | TDP1 (0.38) | ALDH1A1TDP1TSHRMAPTNPC1 | |
| SCHEMBL9004731 | 0.83 | ALDH1A1 (0.36) | ALDH1A1TDP1TSHRMAPTNPC1 | |
| SCHEMBL9004701 | 0.81 | PDK1 (0.37) | ALDH1A1TDP1TSHRMAPTNPC1 | |
| SCHEMBL15097624 | 0.79 | — | — | |
| SCHEMBL26454180 | 0.78 | ALDH1A1 (0.32) | ALDH1A1TDP1 | |
| SCHEMBL10800206 | 0.76 | TSHR (0.40) | ALDH1A1TDP1TSHRMAPTNPC1 | |
| SCHEMBL27727673 | 0.71 | GPR35 (0.34) | ALDH1A1TDP1TSHRMEN1KMT2A | |
| SCHEMBL26382436 | 0.71 | ALDH1A1 (0.32) | ALDH1A1TDP1MAPTNPC1MAPK1 | |
| SCHEMBL107210 | 0.70 | ALDH1A1 (0.35) | ALDH1A1TDP1TSHRMEN1KMT2A |
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-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 |