Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.56 |
| ▸ | ESR1 | P03372 | 8/20 | 0.49 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.49 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.48 |
| ▸ | NCOR2 | Q9Y618 | 3/20 | 0.48 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.48 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.48 |
| ▸ | LTA4H | P09960 | 1/20 | 0.46 |
| ▸ | BCHE | P06276 | 1/20 | 0.45 |
| ▸ | ACHE | P22303 | 1/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL10887640 | 0.93 | HRH3 (0.64) | HRH3KEAP1NFE2L2LTA4HBCHE | |
| SCHEMBL9098371 | 0.86 | LTA4H (0.56) | HRH3LTA4HBCHEACHEKCNH2 | |
| SCHEMBL10349847 | 0.81 | LTA4H (0.51) | HRH3LTA4HBCHEACHEKCNH2 | |
| SCHEMBL2477011 | 0.78 | ESR1 (0.65) | HRH3ESR1ESR2KEAP1NFE2L2 | |
| SCHEMBL153979 | 0.78 | ESR1 (0.52) | ESR1ESR2HDAC6NFE2L2LTA4H | |
| SCHEMBL153978 | 0.78 | ESR1 (0.52) | ESR1ESR2HDAC6NFE2L2LTA4H | |
| SCHEMBL14174799 | 0.76 | HRH3 (0.61) | HRH3KEAP1NFE2L2LTA4HBCHE | |
| Hydrochloric Acid SCHEMBL10699072 | 0.76 | HRH3 (0.43) | HRH3ESR1ESR2HDAC3HDAC6 | |
| SCHEMBL19644189 | 0.74 | CYP2D6 (0.60) | HRH3ESR1ESR2LTA4HBCHE | |
| SCHEMBL5848497 | 0.74 | CYP1A1 (0.58) | HRH3ESR1HDAC3HDAC6NCOR2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5491173-A | ESTROGENIC, ANTIESTROGENIC AGENTS, ANTITUMOR AGENTS | ORION-YHTYMA OY (FI) | 1996-02-13 | — | — | US | claimed |
| US-5491173-A | ESTROGENIC, ANTIESTROGENIC AGENTS, ANTITUMOR AGENTS | ORION-YHTYMA OY (FI) | 1996-02-13 | — | — | US | disclosed |