Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSPA5 | P11021 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.43 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 5/20 | 0.42 |
| ▸ | CA2 | P00918 | 5/20 | 0.42 |
| ▸ | IDO1 | P14902 | 2/20 | 0.42 |
| ▸ | CA9 | Q16790 | 4/20 | 0.41 |
| ▸ | MPO | P05164 | 1/20 | 0.41 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28177618 | 0.86 | CYP3A4 (0.41) | HSPA5CYP3A4KDM4E | |
| SCHEMBL30480678 | 0.86 | CYP3A4 (0.41) | HSPA5CYP3A4KDM4E | |
| SCHEMBL29116349 | 0.83 | HSPA5 (0.46) | HSPA5CYP2D6TSHRHIF1ATAAR1 | |
| SCHEMBL29256037 | 0.81 | HSPA5 (0.48) | HSPA5CYP2D6TSHRHIF1ATAAR1 | |
| SCHEMBL765679 | 0.81 | HSPA5 (0.48) | HSPA5CYP2D6TSHRHIF1ATAAR1 | |
| SCHEMBL4232509 | 0.81 | HSPA5 (0.48) | HSPA5CYP2D6TSHRHIF1ATAAR1 | |
| SCHEMBL9422474 | 0.81 | TAAR1 (0.52) | HSPA5CYP2D6TSHRHIF1ATAAR1 | |
| SCHEMBL4232504 | 0.81 | HSPA5 (0.48) | HSPA5CYP2D6TSHRHIF1ATAAR1 | |
| SCHEMBL6939830 | 0.81 | HSPA5 (0.48) | HSPA5CYP2D6TSHRHIF1ATAAR1 | |
| SCHEMBL27882232 | 0.81 | HSPA5 (0.48) | HSPA5CYP2D6TSHRHIF1ATAAR1 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3941199-A1 | STABILIZED THIOKETONE FORMULATIONS | Bayer Aktiengesellschaft (DE) | 2022-01-26 | — | — | EP | disclosed |
| WO-2020187871-A1 | STABILIZED THIOKETONE FORMULATIONS | BAYER AKTIENGESELLSCHAFT (DE) | 2020-09-24 | — | — | WO | disclosed |
| CN-102007084-B | Rheology influencing additive for mineral building materials | AKZO NOBEL NV | 2013-10-09 | — | — | CN | disclosed |
| EP-2600960-A1 | AGGLOMERATION OF HIGH SURFACE AREA RARE EARTHS | Molycorp Minerals, LLC (US) | 2013-06-12 | — | — | EP | disclosed |
| US-20120031827-A1 | AGGLOMERATION OF HIGH SURFACE AREA RARE EARTHS | MOLYCORP MINERALS, LLC (US) | 2012-02-09 | — | — | US | disclosed |
| WO-2012019195-A1 | AGGLOMERATION OF HIGH SURFACE AREA RARE EARTHS | MOLYCORP MINERALS LLC (US) | 2012-02-09 | — | — | WO | disclosed |
| CN-102007084-A | Rheology influencing additive for mineral building materials | AKZO NOBEL NV | 2011-04-06 | — | — | CN | disclosed |
| EP-1509220-A4 | A PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF SEBORRHEA CONTAINING 4-HYDROXY-5-METHOXY-4- 2-METHYL-3(3-METHYL-2-BUTENYL)-2-OXIRANYL -1-OXASPIRO 2,5 OCTAN-6-ONE | MYCOPLUS CO LTD (KR) | 2009-04-01 | — | — | EP | disclosed |
| US-7025973-B2 | Acid cosmetic, dermatological and pharmaceutical agents | CLARIANT GMBH (DE) | 2006-04-11 | — | — | US | disclosed |
| EP-1509220-A1 | A PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF SEBORRHEA CONTAINING 4-HYDROXY-5-METHOXY-4- 2-METHYL-3(3-METHYL-2-BUTENYL)-2-OXIRANYL]-1-OXASPIRO 2,5]OCTAN-6-ONE | Mycoplus Co., Ltd. (KR) | 2005-03-02 | — | — | EP | disclosed |
| US-20040115148-A1 | Acid cosmetic, dermatological and pharmaceutical agents | CLARIANT PRODUKTE (DEUTSCHLAND) GMBH (DE) | 2004-06-17 | — | — | US | disclosed |
| WO-2003094908-A1 | A PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF SEBORRHEA CONTAINING 4-HYDROXY-5-METHOXY-4-[2-METHYL-3(3-METHYL-2-BUTENYL)-2-OXIRANYL]-1-OXASPIRO[2,5]OCTAN-6-ONE | MYCOPLUS CO., LTD. (KR) | 2003-11-20 | — | — | WO | disclosed |
| US-4472421-A | SHAMPOO | BAYER AKTIENGESELLSCHAFT (DE) | 1984-09-18 | — | — | US | disclosed |