Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.54 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.54 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.54 |
| ▸ | HPRT1 | P00492 | 4/20 | 0.52 |
| ▸ | KIF11 | P52732 | 2/20 | 0.52 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | ERN1 | O75460 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.44 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.44 |
| ▸ | FYN | P06241 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | AHR | P35869 | 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 | |
|---|---|---|---|---|
| SCHEMBL29913753 | 1.00 | ALDH1A1 (0.54) | ALDH1A1HSD17B10CYP1B1HIF1AHPRT1 | |
| SCHEMBL27456577 | 0.98 | ALDH1A1 (0.52) | ALDH1A1HSD17B10CYP1B1HIF1AHPRT1 | |
| SCHEMBL10484075 | 0.98 | HPRT1 (0.56) | ALDH1A1HSD17B10CYP1B1HIF1AHPRT1 | |
| SCHEMBL11622042 | 0.90 | AKR1B1 (0.49) | ALDH1A1HSD17B10CYP1B1HIF1AHPRT1 | |
| SCHEMBL10484322 | 0.90 | HPRT1 (0.56) | ALDH1A1HSD17B10CYP1B1HIF1AHPRT1 | |
| SCHEMBL30811866 | 0.90 | HPRT1 (0.56) | ALDH1A1HSD17B10CYP1B1HIF1AHPRT1 | |
| SCHEMBL5617799 | 0.89 | ALDH1A1 (0.56) | ALDH1A1HSD17B10CYP1B1HIF1AHPRT1 | |
| SCHEMBL9127399 | 0.89 | CYP2A6 (0.48) | ALDH1A1HSD17B10KIF11CYP2A6TSHR | |
| SCHEMBL10348677 | 0.88 | ALDH1A1 (0.50) | ALDH1A1HSD17B10CYP1B1HIF1AHPRT1 | |
| SCHEMBL9798242 | 0.87 | CYP2A6 (0.44) | ALDH1A1HSD17B10CYP1B1HIF1AKIF11 |
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 71 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103391945-B | Isoxazolidine derivant | 奇斯药制品公司 | 2016-11-09 | — | — | CN | claimed |
| CN-103391945-A | Isoxazolidine derivatives | CHIESI FARMA SPA | 2013-11-13 | — | — | CN | claimed |
| CN-103380142-A | Isoxazolidine derivatives | CHIESI FARMA SPA | 2013-10-30 | — | — | CN | claimed |
| CN-101282987-A | Glucocorticoid 16alpha,17alpha-isoxazolidines as anti-inflammatory agents | NOVARTIS AG (CH) | 2008-10-08 | — | — | CN | claimed |
| CN-1284781-C | Polycyclic compounds with antitumor activity | HOFFMANN LA ROCHE (CH) | 2006-11-15 | — | — | CN | claimed |
| CN-1610681-A | Polycyclic compounds having anti-tumor activity | HOFFMANN LA ROCHE (CH) | 2005-04-27 | — | — | CN | claimed |
| CN-114956933-A | Marker containing isotope oxygen atom and preparation method and application thereof | 清华大学 | 2022-08-30 | — | — | CN | disclosed |
| CN-111517902-B | Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photo-oxidation promoting method thereof | 清华大学 | 2022-06-14 | — | — | CN | disclosed |
| CN-106565622-B | Novel isoxazoles, process for their preparation and their use | 尚科纺织企业工业及贸易公司 | 2022-02-15 | — | — | CN | disclosed |
| WO-2021129639-A1 | ORGANIC COMPOUND AND APPLICATION, AND ORGANIC ELECTROLUMINESCENCE DEVICE USING ORGANIC COMPOUND | 陕西莱特光电材料股份有限公司 | 2021-07-01 | — | — | WO | disclosed |
| CN-111517902-A | Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photo-oxidation promoting method thereof | 清华大学 | 2020-08-11 | — | — | CN | disclosed |
| WO-2020155595-A1 | AEROBIC OXIDATION SYSTEM CONTAINING SULFINIC ACID, SULFONIC ACID OR DERIVATIVES THEREOF AND PHOTOCATALYTIC OXIDATION METHOD THEREFOR | 清华大学 | 2020-08-06 | — | — | WO | disclosed |
| CN-110386926-A | A kind of organic photoelectrical material and its preparation method and application containing benzheterocycle structure | 武汉尚赛光电科技有限公司 | 2019-10-29 | — | — | CN | disclosed |
| US-4623661-A | HYDROXAMIC ACID DERIVATIVES | ABBOTT LABORATORIES (US) | 1986-11-18 | — | — | US | disclosed |
| EP-0199151-A2 | Lipoxygenase inhibiting compounds | ABBOTT LABORATORIES (US) | 1986-10-29 | — | — | EP | disclosed |
| EP-0172427-A2 | Process for production of vinyl chloride polymer | Shin-Etsu Chemical Co., Ltd. (JP) | 1986-02-26 | — | — | EP | disclosed |
| US-4511582-A | 2-METHYL-2-/PHENANTHRYLMETHYL/AMINOPROPANEDIOL OR ESTERS | BURROUGHS WELLCOME CO. (US) | 1985-04-16 | — | — | US | disclosed |
| EP-0125701-A2 | Polycyclic aromatic compounds | THE WELLCOME FOUNDATION LIMITED (GB) | 1984-11-21 | — | — | EP | disclosed |
| US-4060677-A | Process for molecular weight lowering of vinyl halide polymers employing saturated carbon to carbon bonded aldehydes | HOOKER CHEMICALS & PLASTICS CORPORATION (US) | 1977-11-29 | — | — | US | disclosed |
| US-3987116-A | ETHYNYLARYL COMPOUNDS AND DERIVATIVES THEREOF | WILLIAM H. RORER, INC. (US) | 1976-10-19 | — | — | US | disclosed |