Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.61 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | MYC | P01106 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.46 |
| ▸ | CDC25B | P30305 | 1/20 | 0.46 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.45 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.45 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.45 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.45 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL27485492 | 0.91 | CYP3A4 (0.64) | CYP3A4CYP2C9KMT2AALDH1A1MYC | |
| SCHEMBL2230263 | 0.88 | CYP3A4 (0.50) | CYP3A4CYP2C9KMT2AALDH1A1MYC | |
| SCHEMBL350625 | 0.87 | MYC (0.62) | CYP3A4CYP2C9KMT2AALDH1A1MYC | |
| SCHEMBL357669 | 0.86 | CYP3A4 (0.72) | CYP3A4CYP2C9KMT2AALDH1A1MYC | |
| SCHEMBL10669335 | 0.85 | CYP3A4 (0.59) | CYP3A4CYP2C9KMT2AALDH1A1HPGD | |
| Phthalic Acid SCHEMBL10989143 | 0.84 | CYP3A4 (0.65) | CYP3A4CYP2C9KMT2AALDH1A1MYC | |
| SCHEMBL29400205 | 0.84 | ALDH1A1 (0.63) | CYP3A4CYP2C9KMT2AALDH1A1MYC | |
| SCHEMBL80110 | 0.84 | ALDH1A1 (0.63) | CYP3A4CYP2C9KMT2AALDH1A1MYC | |
| SCHEMBL7041793 | 0.84 | CYP3A4 (0.48) | CYP3A4CYP2C9KMT2AALDH1A1MYC | |
| SCHEMBL333141 | 0.83 | CYP3A4 (0.55) | CYP3A4CYP2C9KMT2AALDH1A1HPGD |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2014167017-A1 | METHOD FOR PRODUCING ORTHO-ACYLATED AROMATIC OR HETEROAROMATIC CARBOXYLIC ACIDS | SALTIGO GMBH (DE) | 2014-10-16 | — | — | WO | disclosed |
| EP-2789600-A1 | Method for the preparation of ortho-acylated aromatic or heteroaromatic carboxylic acids | Saltigo GmbH (DE) | 2014-10-15 | — | — | EP | disclosed |