Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 8/20 | 0.43 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.43 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.34 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.34 |
| ▸ | NQO2 | P16083 | 1/20 | 0.33 |
| ▸ | TDO2 | P48775 | 1/20 | 0.32 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.32 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.32 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.32 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8094620 | 0.76 | MAPT (0.42) | CYP2A6CYP2B6CYP2E1CYP3A4CYP2C9 | |
| SCHEMBL2782543 | 0.74 | CYP2E1 (0.39) | CYP2A6CYP2B6CYP2E1NPC1 | |
| SCHEMBL4591149 | 0.71 | CASP3 (0.38) | CYP2A6NPC1 | |
| SCHEMBL4591209 | 0.71 | ALDH1A1 (0.36) | CYP2A6NPC1 | |
| SCHEMBL3781511 | 0.67 | LTA4H (0.48) | CYP2A6 | |
| SCHEMBL196071 | 0.67 | CYP2A6 (0.58) | CYP2A6CYP2B6CYP2E1KCNH2CYP3A4 | |
| SCHEMBL27989815 | 0.66 | CYP2A6 (0.74) | CYP2A6CYP2B6CYP2E1KCNH2CYP3A4 | |
| SCHEMBL2236313 | 0.66 | KDM4E (0.41) | — | |
| SCHEMBL6069115 | 0.66 | TSHR (0.44) | NPC1 | |
| SCHEMBL27839281 | 0.66 | ACHE (0.39) | NPC1 |
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 62 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105646362-A | 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS MEDICINE | 赛诺菲 | 2016-06-08 | — | — | CN | disclosed |
| CN-105461589-A | Acylamino-substituted fused cyclopentanecarboxylic acid derivatives and their use as pharmaceuticals | SANOFI AVENTIS | 2016-04-06 | — | — | CN | disclosed |
| CN-105418450-A | ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS | SANOFI AVENTIS | 2016-03-23 | — | — | CN | disclosed |
| CN-103827097-B | 3-heteroaroylamino-propionic acid derivatives and their use as pharmaceuticals | SAI NUOFEI (FR) | 2016-03-16 | — | — | CN | disclosed |
| CN-102083432-B | Acylamino-substituted fused cyclopentanecarboxylic acid derivatives and their use as pharmaceuticals | SANOFI-AVENTIS (FR) | 2016-02-17 | — | — | CN | disclosed |
| CN-103442712-B | Substituted 3-heteroaroylamino-propionic acid derivatives and their use as pharmaceuticals | SAI NUOFEI (FR) | 2016-01-20 | — | — | CN | disclosed |
| CN-103459374-B | Amino-substituted 3-heteroaroylamino-propionic acid derivatives and their use as pharmaceuticals | SAI NUOFEI (FR) | 2015-11-25 | — | — | CN | disclosed |
| CN-102884052-B | O-substituted 3-heteroaroylamino-propionic acid derivatives and their pharmaceutical use | SAI NUOFEI (FR) | 2015-10-21 | — | — | CN | disclosed |
| CN-102548993-B | Cyclic (aza)indolizinecarboxamides, their preparation and their use as pharmaceuticals | SANOFI AVENTIS | 2014-12-10 | — | — | CN | disclosed |
| US-8816081-B2 | Boron containing perylene monoimides, a process for their production, their use as building blocks for the production of perylene monoimide derivatives, monoimide derivatives and their use in dye-sensitized solar cells | BASF SE (DE) | 2014-08-26 | — | — | US | disclosed |
| CN-1066266-A | PHOSPHOSULFONATE HERBICIDES | ROHM & HAAS (US) | 1992-11-18 | — | — | CN | disclosed |
| CN-1066069-A | Fungicidal pyrazoles, pyrazoline and tetrahydro pyridazine | DU PONT (US) | 1992-11-11 | — | — | CN | disclosed |
| US-4980367-A | CONTROLLING PLANT DISEASES | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1990-12-25 | — | — | US | disclosed |
| EP-0390850-A4 | ANTIFUNGAL CARBINOLS | — | 1990-12-05 | — | — | EP | disclosed |
| US-4965281-A | CONTROLLING PLANT AND MAMMAL FUNGAL INFECTIONS | E. I. DU PONT DE NEMOURS AND CMOPANY (US) | 1990-10-23 | — | — | US | disclosed |
| US-4965280-A | PLANT GROWTH REGULATORS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1990-10-23 | — | — | US | disclosed |
| EP-0390850-A1 | ANTIFUNGAL CARBINOLS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1990-10-10 | — | — | EP | disclosed |
| US-4952232-A | Antifungal carbinols | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1990-08-28 | — | — | US | disclosed |
| WO-1990008145-A1 | ANTI-INFLAMMATORY 1-HETEROARYL-3-ACYL-2-OXINDOLES | PFIZER INC. (US) | 1990-07-26 | — | — | WO | disclosed |
| WO-1989005581-A1 | ANTIFUNGAL CARBINOLS | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1989-06-29 | — | — | WO | disclosed |