Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.72 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.58 |
| ▸ | MAPT | P10636 | 3/20 | 0.58 |
| ▸ | MEN1 | O00255 | 3/20 | 0.58 |
| ▸ | ESR1 | P03372 | 2/20 | 0.54 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.54 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | PHLPP2 | Q6ZVD8 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.48 |
| ▸ | ACHE | P22303 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| 4-Nitroaniline SCHEMBL4208296 | 0.85 | ALDH1A1 (0.90) | ALDH1A1KMT2AMAPTMEN1ESR1 | |
| 4-Nitroaniline SCHEMBL16451 | 0.85 | ALDH1A1 (1.00) | ALDH1A1KMT2AMAPTMEN1ESR1 | |
| 4-Nitroaniline SCHEMBL27963818 | 0.85 | ALDH1A1 (1.00) | ALDH1A1KMT2AMAPTMEN1ESR1 | |
| 4-Nitroaniline SCHEMBL13529022 | 0.85 | ALDH1A1 (1.00) | ALDH1A1KMT2AMAPTMEN1ESR1 | |
| SCHEMBL9065915 | 0.85 | ALDH1A1 (1.00) | ALDH1A1KMT2AMAPTMEN1ESR1 | |
| Methylamine SCHEMBL9733678 | 0.83 | ALDH1A1 (0.58) | ALDH1A1KMT2AMAPTMEN1CYP3A4 | |
| SCHEMBL254528 | 0.83 | ALDH1A1 (0.56) | ALDH1A1KMT2AMAPTMEN1CYP3A4 | |
| 4-Nitroaniline SCHEMBL28869855 | 0.83 | ALDH1A1 (0.86) | ALDH1A1KMT2AMAPTMEN1ESR1 | |
| SCHEMBL17073457 | 0.83 | ALDH1A1 (0.61) | ALDH1A1KMT2AMAPTMEN1CYP3A4 | |
| 4-Nitroaniline SCHEMBL21825602 | 0.83 | ALDH1A1 (0.95) | ALDH1A1KMT2AMAPTMEN1ESR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0902018-B1 | 2-(Arylphenyl)amino-imidazoline derivatives | HOFFMANN LA ROCHE (CH) | 2008-07-23 | — | — | EP | disclosed |