Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.45 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.45 |
| ▸ | SLC16A3 | O15427 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | TTR | P02766 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL11732139 | 0.84 | FFAR1 (0.46) | POLBSLC5A1HPGDSLC5A2TAAR1 | |
| SCHEMBL11725899 | 0.84 | PLAAT3 (0.44) | KMT2AMEN1HDAC2HDAC8LMNA | |
| SCHEMBL11732171 | 0.84 | FFAR1 (0.46) | ALDH1A1TDP1LMNAPOLBGAA | |
| SCHEMBL11730482 | 0.84 | KEAP1 (0.53) | ALDH1A1TDP1HDAC2HDAC8POLB | |
| SCHEMBL11730029 | 0.81 | IAPP (0.53) | KDM4ECYP19A1ALDH1A1TDP1LMNA | |
| SCHEMBL11166979 | 0.81 | GAA (0.43) | KDM4EKMT2ACYP19A1ALDH1A1MEN1 | |
| SCHEMBL11728918 | 0.80 | F2RL1 (0.57) | KDM4EKMT2AALDH1A1CYP2C19MEN1 | |
| SCHEMBL11729107 | 0.79 | TSHR (0.51) | KMT2AALDH1A1CYP2C19MEN1MAPT | |
| SCHEMBL11725816 | 0.78 | CYP4A11 (0.53) | KDM4EALDH1A1CYP2C19TDP1TP53 | |
| SCHEMBL11160211 | 0.78 | GAA (0.43) | GAATRPV1 |
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-4003936-A | HYPOTENSIVE AGENTS | ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JA) | 1977-01-18 | — | — | US | claimed |
| US-4003936-A | HYPOTENSIVE AGENTS | ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JA) | 1977-01-18 | — | — | US | disclosed |