Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 5/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.44 |
| ▸ | HTR3A | P46098 | 2/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.42 |
| ▸ | APEX1 | P27695 | 1/20 | 0.42 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.42 |
| ▸ | GRM8 | O00222 | 1/20 | 0.40 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | HTR1A | P08908 | 2/20 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL326728 | 0.98 | TDP1 (0.46) | ESR1ESR2TAAR1HTR3AHIF1A | |
| SCHEMBL15653352 | 0.86 | ESR1 (0.46) | ESR1ESR2TAAR1HTR3AHIF1A | |
| SCHEMBL21357582 | 0.85 | ESR1 (0.44) | ESR1ESR2TAAR1HTR3AHIF1A | |
| SCHEMBL3253687 | 0.84 | TAAR1 (0.52) | ESR1ESR2TAAR1HTR3AHIF1A | |
| SCHEMBL4826506 | 0.83 | GABBR2 (0.46) | TSHRNFKB1EPHX1LMNACYP2C19 | |
| SCHEMBL4938891 | 0.83 | ESR1 (0.47) | ESR1ESR2TAAR1HTR3AHIF1A | |
| SCHEMBL27691659 | 0.82 | EPHX1 (0.61) | TAAR1EPHX1LMNACYP2C19CYP1A2 | |
| SCHEMBL3466433 | 0.80 | ESR1 (0.47) | ESR1ESR2TAAR1HTR3AHIF1A | |
| SCHEMBL30368876 | 0.79 | ESR1 (0.40) | ESR1ESR2TAAR1HTR3AHIF1A | |
| SCHEMBL4943215 | 0.78 | LMNA (0.54) | ESR1ESR2TAAR1HTR3AHIF1A |
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 |
|---|---|---|---|---|---|---|---|
| US-5356894-A | Adenosine antagonists | SYNGENTA LIMITED (GB) | 1994-10-18 | — | — | US | disclosed |
| US-5270311-A | [1,2,4]-Triazolo[1,5-a]and pyrazolo[2,3-a][1,3,5]triazine derivatives | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1993-12-14 | — | — | US | disclosed |
| CN-1056879-A | Pyrrole derivative and preparation method thereof | ICI PLC (GB) | 1991-12-11 | — | — | CN | disclosed |
| EP-0459702-A1 | Azole Derivatives | ZENECA LIMITED (GB) | 1991-12-04 | — | — | EP | disclosed |