Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.60 |
| ▸ | RAB9A | P51151 | 2/20 | 0.60 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.60 |
| ▸ | MAOA | P21397 | 7/20 | 0.58 |
| ▸ | MAOB | P27338 | 7/20 | 0.58 |
| ▸ | SRC | P12931 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | CCNB2 | O95067 | 2/20 | 0.42 |
| ▸ | CDK1 | P06493 | 2/20 | 0.42 |
| ▸ | CDK4 | P11802 | 2/20 | 0.42 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.42 |
| ▸ | CCND1 | P24385 | 2/20 | 0.42 |
| ▸ | CCNB3 | Q8WWL7 | 2/20 | 0.42 |
| ▸ | TTR | P02766 | 1/20 | 0.41 |
| ▸ | FDPS | P14324 | 1/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL29955275 | 1.00 | NPC1 (0.60) | NPC1RAB9ATDP1MAOAMAOB | |
| SCHEMBL10800526 | 0.92 | NPC1 (0.54) | NPC1RAB9ATDP1MAOAMAOB | |
| SCHEMBL5001878 | 0.85 | NPC1 (0.54) | NPC1RAB9ATDP1MAOAMAOB | |
| SCHEMBL30855377 | 0.84 | NPC1 (0.59) | NPC1RAB9ATDP1MAOAMAOB | |
| SCHEMBL1279355 | 0.84 | NPC1 (0.59) | NPC1RAB9ATDP1MAOAMAOB | |
| SCHEMBL8709017 | 0.83 | CCNB2 (0.62) | NPC1RAB9ATDP1MAOAMAOB | |
| SCHEMBL8709013 | 0.83 | CCNB2 (0.62) | NPC1RAB9ATDP1MAOAMAOB | |
| SCHEMBL8111540 | 0.83 | MAOA (0.55) | NPC1RAB9ATDP1MAOAMAOB | |
| SCHEMBL30833931 | 0.83 | MAOA (0.55) | NPC1RAB9ATDP1MAOAMAOB | |
| SCHEMBL695627 | 0.83 | NPC1 (0.57) | NPC1RAB9ATDP1MAOAMAOB |
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 133 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112826812-B | Pharmaceutical composition for treating colon cancer and application thereof | 青岛大学 | 2023-08-25 | — | — | CN | disclosed |
| CN-112694392-B | TRPV3 inhibitor and preparation method thereof | 青岛大学 | 2022-11-22 | — | — | CN | disclosed |
| CN-114591267-A | Nitrogen-containing derivatives of monocarbonyl curcumin, and preparation method and application thereof | 沈阳药科大学 | 2022-06-07 | — | — | CN | disclosed |
| CN-112826812-A | Pharmaceutical composition for treating colon cancer and application thereof | 青岛大学 | 2021-05-25 | — | — | CN | disclosed |
| CN-112694392-A | TRPV3 inhibitor and preparation method thereof | 青岛大学 | 2021-04-23 | — | — | CN | disclosed |
| EP-2883865-B1 | Compound capable of binding S1P receptor and pharmaceutical use thereof | ONO PHARMACEUTICAL CO (JP) | 2019-09-25 | — | — | EP | disclosed |
| US-9884836-B2 | 2-substituted-5-hydroxy-4H-chromen-4-ones as novel ligands for the serotonin receptor 2B (5-HT2B) | VIRGINIA COMMONWEALTH UNIVERSITY (US) | 2018-02-06 | — | — | US | disclosed |
| EP-3150203-A1 | COMPOUNDS WITH (1E,6E)-1,7-BIS-(3,4- DIMETHOXYPHENYL)-4,4-DISSTITUTED-HEPA-1,6-DIENE-3,5-DI-ONE STRUCTURAL SCAFFOLD,THEIR BIOLOGICAL ACTIVITY, AND USES THEREOF | Allianz Pharmascience Ltd (TW) | 2017-04-05 | — | — | EP | disclosed |
| EP-1926737-B1 | 4-AMINO-THIENO[3,2-C]PYRIDINE-7-CARBOXYLIC ACID DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2017-03-15 | — | — | EP | disclosed |
| US-9562025-B2 | Compounds with (1E, 6E)-1,7-Bis-(3,4-dimethoxyphenyl)-4-4-distributed-hepta-1,6-diene-3,5-dione structural scaffold, their biological activity, and uses thereof | ALLIANZ PHARMASCIENCE LTD. (TW) | 2017-02-07 | — | — | US | disclosed |
| EP-0262870-A2 | Morpholine, piperidine and tetrahydropyridine derivatives, processes for their preparation and their use as fungicides | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1988-04-06 | — | — | EP | disclosed |
| US-4220767-A | HISTAMINE ANTAGONISTS | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1980-09-02 | — | — | US | disclosed |
| US-4185103-A | ANTAGONISTS | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1980-01-22 | — | — | US | disclosed |
| US-4155935-A | Benzylamine analgesics | AMERICAN HOME PRODUCTS CORPORATION (US) | 1979-05-22 | — | — | US | disclosed |
| US-4125530-A | FROM 1,1-DIHALO-3,3,3-TRIFLUOROACETONE, BASE, AMMONIA AND A CARBOXALDEHYDE | MERCK & CO., INC. (US) | 1978-11-14 | — | — | US | disclosed |
| US-4032522-A | ANTI-GOUT, ANTI-HYPERURICEMIC | MERCK & CO., INC. (US) | 1977-06-28 | — | — | US | disclosed |
| US-4017637-A | Benzylamine analgesics | AMERICAN HOME PRODUCTS CORPORATION (US) | 1977-04-12 | — | — | US | disclosed |
| US-3987105-A | PROCESS FOR METHOXYMETHYLATION OF PHENOLIC HYDROXYL GROUPS | AMERICAN HOME PRODUCTS CORPORATION (US) | 1976-10-19 | — | — | US | disclosed |
| US-3975436-A | Benzylamine narcotic antagonists | AMERICAN HOME PRODUCTS CORPORATION (US) | 1976-08-17 | — | — | US | disclosed |
| US-3937818-A | ADMINISTERING | AMERICAN HOME PRODUCTS CORPORATION (US) | 1976-02-10 | — | — | US | disclosed |