Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | CES2 | O00748 | 1/20 | 0.47 |
| ▸ | CES1 | P23141 | 1/20 | 0.47 |
| ▸ | KCNMA1 | Q12791 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 5/20 | 0.42 |
| ▸ | MEN1 | O00255 | 4/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | GMNN | O75496 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | TTR | P02766 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL10660701 | 0.84 | GSTA1 (0.53) | ALDH1A1ALOX15KCNMA1MAPTHPGD | |
| SCHEMBL11055051 | 0.83 | MAPK1 (0.50) | ALDH1A1ALOX15CES2MEN1KMT2A | |
| SCHEMBL10657561 | 0.82 | CES2 (0.50) | ALDH1A1CES2CES1MEN1KMT2A | |
| SCHEMBL10655667 | 0.79 | MAPK13 (0.49) | ALDH1A1KCNMA1KMT2ACYP2C9TTR | |
| SCHEMBL250099 | 0.79 | CES2 (0.71) | ALDH1A1ALOX15CES2CES1MAPT | |
| SCHEMBL30293901 | 0.79 | CES2 (0.71) | ALDH1A1ALOX15CES2CES1MAPT | |
| SCHEMBL11646628 | 0.78 | KCNMA1 (0.60) | ALDH1A1ALOX15CES2CES1KCNMA1 | |
| SCHEMBL10567455 | 0.78 | SMN1; SMN2 (0.54) | ALDH1A1ALOX15CES2CES1MAPT | |
| SCHEMBL9390040 | 0.77 | CES2 (0.58) | ALDH1A1ALOX15CES2CES1MAPT | |
| SCHEMBL31220395 | 0.77 | CES2 (0.58) | ALDH1A1ALOX15CES2CES1MAPT |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4728662-A | DIURETICS, URICOSURICS, HYPOTENSIVES | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1988-03-01 | — | — | US | disclosed |
| EP-0119294-B1 | BENZISOXAZOLE CARBOXYLIC ACIDS | ABBOTT LABORATORIES (US) | 1987-09-16 | — | — | EP | disclosed |
| US-4673746-A | DIURETICS, HYPOTENSIVES | HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) | 1987-06-16 | — | — | US | disclosed |
| US-4490384-A | DIURETICS; HYPOTENSIVE AGENTS; CARDIOVASCULAR DISORDERS | ABBOTT LABORATORIES (US) | 1984-12-25 | — | — | US | disclosed |
| EP-0119294-A1 | Benzisoxazole carboxylic acids | ABBOTT LABORATORIES (US) | 1984-09-26 | — | — | EP | disclosed |
| WO-1984003199-A1 | BENZISOXAZOLE CARBOXYLIC ACIDS | ABBOTT LAB (US) | 1984-08-30 | — | — | WO | disclosed |
| US-4456612-A | DIURETICS | ABBOTT LABORATORIES (US) | 1984-06-26 | — | — | US | disclosed |
| US-4337261-A | (1,2-Benzisoxazol)phenoxyacetic acids as diuretics | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1982-06-29 | — | — | US | disclosed |
| EP-0002666-B1 | 1,2-BENZISOXAZOLYLOXY (OR THIO) ACETIC ACIDS AND RELATED COMPOUNDS, PROCESS FOR THEIR PREPARATION AND MEDICINES CONTAINING THEM | HOECHST AKTIENGESELLSCHAFT (DE) | 1982-02-17 | — | — | EP | disclosed |
| EP-0045078-A1 | (1,2-Benzisoxazol)phenoxyacetic acids and related compounds | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1982-02-03 | — | — | EP | disclosed |
| EP-0002666-A1 | 1,2-Benzisoxazolyloxy (or thio) acetic acids and related compounds, process for their preparation and medicines containing them | HOECHST AKTIENGESELLSCHAFT (DE) | 1979-07-11 | — | — | EP | disclosed |