Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | RXRA | P19793 | 1/20 | 0.36 |
| ▸ | RXRB | P28702 | 1/20 | 0.36 |
| ▸ | RXRG | P48443 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 3/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | NAMPT | P43490 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2091827 | 0.81 | IDO1 (0.59) | IDO1ALDH1A1MAOBMAOAKDM4E | |
| SCHEMBL5539587 | 0.79 | IDO1 (0.43) | IDO1RXRARXRBRXRGMAOB | |
| SCHEMBL3685038 | 0.78 | IDO1 (0.44) | IDO1ALDH1A1TDP1TSHRRXRA | |
| SCHEMBL28893744 | 0.78 | IDO1 (0.44) | IDO1ALDH1A1TDP1TSHRRXRA | |
| SCHEMBL7803325 | 0.76 | IDO1 (0.42) | IDO1ALDH1A1TDP1TSHRRXRA | |
| SCHEMBL5984175 | 0.76 | GABRA1 (0.41) | IDO1KDM4ENISCHATMNPSR1 | |
| SCHEMBL7701244 | 0.75 | IDO1 (0.41) | IDO1ALDH1A1TDP1TSHRRXRA | |
| SCHEMBL705888 | 0.75 | IDO1 (0.41) | IDO1ALDH1A1TDP1TSHRRXRA | |
| SCHEMBL13050671 | 0.75 | ALDH1A1 (0.45) | IDO1ALDH1A1TDP1TSHRRXRA | |
| SCHEMBL133171 | 0.75 | MAOB (0.45) | ALDH1A1TSHRMAOBKDM4E |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1449828-A2 | Guanidinomethyl cyclohexane carboxylic acid ester derivatives | Nagase ChemteX Corporation (JP) | 2004-08-25 | — | — | EP | disclosed |
| EP-0989112-B1 | Intermediates for the preparation of guanidinomethyl cyclohexane carboxylic acid ester derivatives | NAGASE CHEMTEX CORP (JP) | 2004-04-14 | — | — | EP | disclosed |
| EP-0775692-B1 | GUANIDINOMETHYL CYCLOHEXANE CARBOXYLIC ESTER DERIVATIVE | TEIKOKU CHEM IND CO LTD (JP) | 2000-12-06 | — | — | EP | disclosed |
| EP-0989112-A2 | Intermediates for the preparation of guanidinomethyl cyclohexane carboxylic acid ester derivatives | TEIKOKU CHEMICAL INDUSTRY CO., LTD. (JP) | 2000-03-29 | — | — | EP | disclosed |
| US-5856311-A | Derivatives of β-aminopropionic acid with a fungicidal activity | ISAGRO RICERCA SRL (IT) | 1999-01-05 | — | — | US | disclosed |
| EP-0843967-A1 | Use of Beta-aminopropionic acid derivatives as fungicides | ISAGRO RICERCA S.r.l. (IT) | 1998-05-27 | — | — | EP | disclosed |
| EP-0718280-A2 | Derivatives of beta-aminopropionic acid with a fungicidal activity | ISAGRO RICERCA S.r.l. (IT) | 1996-06-26 | — | — | EP | disclosed |
| US-4642240-A | LOW CALORIE SWEETENERS | GENERAL FOODS CORPORATION (US) | 1987-02-10 | — | — | US | disclosed |