Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.55 |
| ▸ | ACP3 | P15309 | 2/20 | 0.55 |
| ▸ | PNMT | P11086 | 1/20 | 0.51 |
| ▸ | IDO1 | P14902 | 1/20 | 0.49 |
| ▸ | TDO2 | P48775 | 1/20 | 0.49 |
| ▸ | PPARG | P37231 | 4/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.46 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.46 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL30015679 | 1.00 | CES2 (0.55) | CES2ACP3PNMTIDO1TDO2 | |
| SCHEMBL29099863 | 0.86 | CES2 (0.53) | CES2ACP3PNMTIDO1TDO2 | |
| SCHEMBL7469419 | 0.86 | PNMT (0.53) | CES2ACP3PNMTIDO1TDO2 | |
| SCHEMBL330908 | 0.86 | CES2 (0.53) | CES2ACP3PNMTIDO1TDO2 | |
| SCHEMBL10454464 | 0.85 | CES2 (0.51) | CES2ACP3PNMTIDO1TDO2 | |
| SCHEMBL18952889 | 0.84 | CES2 (0.57) | CES2ACP3PNMTIDO1TDO2 | |
| SCHEMBL3312220 | 0.83 | CES2 (0.47) | CES2IDO1TDO2AKR1C3AKR1C2 | |
| SCHEMBL1760926 | 0.82 | CES2 (0.49) | CES2ACP3PNMTIDO1TDO2 | |
| SCHEMBL30523034 | 0.82 | CES2 (0.49) | CES2ACP3PNMTIDO1TDO2 | |
| SCHEMBL14176566 | 0.82 | CES2 (0.49) | CES2ACP3PNMTMEN1KMT2A |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110092782-B | Benzo-hexaazacyclo compound and preparation method and application thereof | 中国科学院广州生物医药与健康研究院 | 2022-10-21 | — | — | CN | disclosed |
| CN-111057024-A | Sydneone and sydneone imine compound and preparation method and application thereof | 华东理工大学 | 2020-04-24 | — | — | CN | disclosed |
| EP-1077701-A4 | ANTI-VIRAL COMPOUNDS | LILLY CO ELI (US) | 2002-03-20 | — | — | EP | disclosed |
| US-6358971-B1 | FOR INHIBITING THE GROWTH OF A PICORNAVIRUS | ELI LILLY AND COMPANY | 2002-03-19 | — | — | US | disclosed |
| EP-1077701-A1 | ANTI-VIRAL COMPOUNDS | ELI LILLY AND COMPANY (US) | 2001-02-28 | — | — | EP | disclosed |
| WO-1999059587-A1 | ANTI-VIRAL COMPOUNDS | ELI LILLY AND COMPANY (US) | 1999-11-25 | — | — | WO | disclosed |
| EP-0482080-B1 | SMALL CYCLIC PLATELET AGGREGATION INHIBITORS | GENENTECH INC (US) | 1997-03-26 | — | — | EP | disclosed |
| EP-0555328-A1 | PLATELET AGGREGATION INHIBITORS | GENENTECH, INC. (US) | 1993-08-18 | — | — | EP | disclosed |
| WO-1992007870-A1 | PLATELET AGGREGATION INHIBITORS | GENENTECH, INC. (US) | 1992-05-14 | — | — | WO | disclosed |
| US-4260620-A | HYPOTENSIVE AGENTS | CIBA-GEIGY CORPORATION (US) | 1981-04-07 | — | — | US | disclosed |
| US-4202901-A | HYPOTENSIVE AGENTS | CIBA-GEIGY CORPORATION (US) | 1980-05-13 | — | — | US | disclosed |
| US-4197302-A | HYPOTENSIVE AGENTS, 5-ETHERIFIED, ALSO ESTERS, AMIDES, HYDRAZIDES | CIBA-GEIGY CORPORATION (US) | 1980-04-08 | — | — | US | disclosed |