Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRD5A2 | P31213 | 3/20 | 0.72 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.61 |
| ▸ | HPGD | P15428 | 3/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.61 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.61 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.61 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.56 |
| ▸ | MEN1 | O00255 | 2/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.55 |
| ▸ | IDO1 | P14902 | 1/20 | 0.49 |
| ▸ | TDO2 | P48775 | 1/20 | 0.49 |
| ▸ | RHEB | Q15382 | 2/20 | 0.49 |
| ▸ | CTSV | O60911 | 1/20 | 0.49 |
| ▸ | CTSL | P07711 | 1/20 | 0.49 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.48 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.48 |
| ▸ | MDH2 | P40926 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | NR4A2 | P43354 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL30169467 | 1.00 | SRD5A2 (0.72) | SRD5A2ALDH1A1HPGDKDM4ECYP1A2 | |
| SCHEMBL30396449 | 0.91 | SRD5A2 (0.64) | SRD5A2ALDH1A1HPGDKDM4ECYP1A2 | |
| SCHEMBL7197823 | 0.91 | SRD5A2 (0.67) | SRD5A2ALDH1A1HPGDKDM4ECYP1A2 | |
| SCHEMBL28594443 | 0.89 | SRD5A2 (0.61) | SRD5A2ALDH1A1HPGDKDM4ECYP1A2 | |
| SCHEMBL28581075 | 0.89 | SRD5A2 (0.65) | SRD5A2ALDH1A1HPGDKDM4ECYP1A2 | |
| SCHEMBL28917192 | 0.88 | SRD5A2 (0.63) | SRD5A2ALDH1A1HPGDKDM4ECYP1A2 | |
| SCHEMBL28586036 | 0.88 | SRD5A2 (0.60) | SRD5A2ALDH1A1HPGDKDM4ECYP1A2 | |
| SCHEMBL7168633 | 0.88 | SRD5A2 (0.56) | SRD5A2ALDH1A1HPGDKDM4ECYP1A2 | |
| Dimethylamine SCHEMBL28585893 | 0.86 | SRD5A2 (0.61) | SRD5A2ALDH1A1HPGDKDM4ECYP1A2 | |
| Dimethylamine SCHEMBL28585501 | 0.86 | SRD5A2 (0.58) | SRD5A2ALDH1A1HPGDKDM4ECYP1A2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112358435-B | Substituted aromatic heterocyclic compound, preparation method, ULK1 inhibition and antitumor application | 中国医学科学院医药生物技术研究所 | 2023-01-10 | — | — | CN | disclosed |
| CN-112358435-A | Substituted aromatic heterocyclic compound, preparation method, ULK1 inhibition and antitumor application | 中国医学科学院医药生物技术研究所 | 2021-02-12 | — | — | CN | disclosed |
| EP-1328514-A1 | AMIDE DERIVATIVES AS NMDA RECEPTOR ANTAGONISTS | RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) | 2003-07-23 | — | — | EP | disclosed |
| WO-2002034718-A1 | AMIDE DERIVATIVES AS NMDA RECEPTOR ANTAGONISTS | RICHTER GEDEON VEGYESZETI GYAR RT. (HU) | 2002-05-02 | — | — | WO | disclosed |