Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB3 | P13945 | 5/20 | 0.42 |
| ▸ | ADRB2 | P07550 | 4/20 | 0.42 |
| ▸ | ADRB1 | P08588 | 4/20 | 0.42 |
| ▸ | MEN1 | O00255 | 4/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | UGCG | Q16739 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7223605 | 0.91 | ADRB3 (0.46) | ADRB3ADRB2ADRB1MEN1KMT2A | |
| SCHEMBL7220715 | 0.77 | KDM4E (0.48) | MEN1KMT2AALDH1A1UGCGKDM4E | |
| SCHEMBL7229707 | 0.76 | SMN1; SMN2 (0.44) | UGCGKDM4EHTTHTR1ASIGMAR1 | |
| Hydrochloric Acid SCHEMBL7228991 | 0.76 | SMN1; SMN2 (0.44) | UGCGKDM4EHTTHTR1ASIGMAR1 | |
| SCHEMBL7223904 | 0.76 | SMN1; SMN2 (0.46) | UGCGKDM4EHTTSIGMAR1 | |
| SCHEMBL7223351 | 0.75 | TAS1R3 (0.44) | MEN1KMT2AALDH1A1UGCGHTT | |
| SCHEMBL7229703 | 0.73 | UGCG (0.39) | MEN1KMT2AALDH1A1UGCGHTT | |
| Hydrochloric Acid SCHEMBL7228986 | 0.73 | UGCG (0.39) | MEN1KMT2AALDH1A1UGCGHTT | |
| SCHEMBL7223901 | 0.73 | UGCG (0.39) | MEN1KMT2AALDH1A1UGCGHTT | |
| SCHEMBL7221545 | 0.71 | ALDH1A1 (0.46) | MEN1KMT2AALDH1A1UGCGHTT |
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 |
|---|---|---|---|---|---|---|---|
| US-6610705-B1 | Treating breast cancer, osteoporosis, hypercholesteremia or endometriosis | COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) | 2003-08-26 | — | — | US | disclosed |