Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.51 |
| ▸ | GUSB | P08236 | 2/20 | 0.43 |
| ▸ | ESR1 | P03372 | 3/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.42 |
| ▸ | ESRRB | O95718 | 1/20 | 0.42 |
| ▸ | ESRRA | P11474 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 1/20 | 0.42 |
| ▸ | TDO2 | P48775 | 1/20 | 0.42 |
| ▸ | IDO2 | Q6ZQW0 | 1/20 | 0.42 |
| ▸ | NQO2 | P16083 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | GLA | P06280 | 2/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.38 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.38 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.38 |
| ▸ | AR | P10275 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2332712 | 0.81 | MEN1 (0.47) | GUSBESR1ESR2ESRRBESRRA | |
| SCHEMBL1622216 | 0.76 | METAP1 (0.50) | HSP90AA1GUSBIDO1TDO2IDO2 | |
| SCHEMBL29793367 | 0.74 | ACHE (0.61) | ESR1ESR2ESRRBESRRAMAOA | |
| SCHEMBL785473 | 0.74 | ACHE (0.61) | ESR1ESR2ESRRBESRRAMAOA | |
| SCHEMBL16098017 | 0.74 | NUDT1 (0.46) | GUSBIDO1CYP1A2MAOAMAOB | |
| SCHEMBL3910858 | 0.74 | MEN1 (0.48) | GUSBESR1ESR2ESRRBESRRA | |
| SCHEMBL6751108 | 0.72 | MEN1 (0.60) | CYP1A2MAOAMAOBALDH1A1KDM4E | |
| SCHEMBL6535469 | 0.72 | MAOA (0.50) | HSP90AA1ESR1ESR2ESRRBESRRA | |
| SCHEMBL30592743 | 0.71 | DHODH (0.58) | ESR1ESR2ESRRBESRRAALDH1A1 | |
| SCHEMBL18258693 | 0.71 | GUSB (0.81) | GUSBCYP1A2ALDH1A1KDM4EMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2024333-A2 | AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE | Cancer Research Technology Limited (GB) | 2009-02-18 | — | — | EP | disclosed |
| WO-2007125331-A2 | AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE | CANCER RESEARCH TECHNOLOGY LIMITED (GB) | 2007-11-08 | — | — | WO | disclosed |