Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | IDO1 | P14902 | 3/20 | 0.48 |
| ▸ | NOS3 | P29474 | 1/20 | 0.48 |
| ▸ | NOS1 | P29475 | 1/20 | 0.48 |
| ▸ | NOS2 | P35228 | 1/20 | 0.48 |
| ▸ | MAOB | P27338 | 1/20 | 0.48 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | CTSL | P07711 | 1/20 | 0.44 |
| ▸ | CTSB | P07858 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 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 | |
|---|---|---|---|---|
| SCHEMBL5209412 | 1.00 | CYP2C19 (0.54) | CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL206 | 0.97 | CYP2C19 (0.56) | CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL27426987 | 0.94 | CYP2C19 (0.54) | CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9 | |
| Hydrogen Sulfide SCHEMBL27662687 | 0.94 | CYP2C19 (0.54) | CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9 | |
| Ammonia Solution, Strong SCHEMBL27626378 | 0.94 | CYP2C19 (0.54) | CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL7136112 | 0.94 | CYP2C19 (0.54) | CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL27941071 | 0.94 | CYP2C19 (0.54) | CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9 | |
| Water SCHEMBL28337531 | 0.94 | CYP2C19 (0.54) | CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9 | |
| Water SCHEMBL27972561 | 0.94 | CYP2C19 (0.54) | CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9 | |
| Bromide SCHEMBL27685571 | 0.94 | CYP2C19 (0.54) | CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9 |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111170909-A | Thioether compound and preparation method and application thereof | 广东工业大学 | 2020-05-19 | — | — | CN | disclosed |
| CN-111170909-A | Thioether compound and preparation method and application thereof | 广东工业大学 | 2020-05-19 | — | — | CN | disclosed |
| EP-1040103-B1 | ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF | TAKEDA PHARMACEUTICAL (JP) | 2007-03-14 | — | — | EP | disclosed |
| US-6413947-B1 | Anilide derivative, production and use thereof | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2002-07-02 | — | — | US | disclosed |
| US-6268354-B1 | Pharmaceutical composition for antagonizing CCR5 comprising anilide derivative | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2001-07-31 | — | — | US | disclosed |
| US-6172061-B1 | AIDS THERAPY | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2001-01-09 | — | — | US | disclosed |
| US-6166006-A | Anilide derivative, production and use thereof | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2000-12-26 | — | — | US | disclosed |
| EP-1039899-A2 | PHARMACEUTICAL COMPOSITION FOR ANTAGONIZING CCR5 COMPRISING ANILIDE DERIVATIVE | Takeda Chemical Industries, Ltd. (JP) | 2000-10-04 | — | — | EP | disclosed |
| EP-1040103-A1 | ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF | Takeda Chemical Industries, Ltd. (JP) | 2000-10-04 | — | — | EP | disclosed |
| WO-1999032100-A2 | PHARMACEUTICAL COMPOSITION FOR ANTAGONIZING CCR5 COMPRISING ANILIDE DERIVATIVE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1999-07-01 | — | — | WO | disclosed |
| WO-1999032468-A1 | ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1999-07-01 | — | — | WO | disclosed |
| EP-0004773-B1 | 17-BETA-THIOCARBOXYLIC ACID ESTERS OF 4-HALO-3-OXOANDROST-4-ENES, THEIR PHARMACEUTICAL USE AND PROCESSES FOR THEIR PREPARATION | SYNTEX (U.S.A.) INC. (US) | 1981-04-29 | — | — | EP | disclosed |
| EP-0004741-B1 | THIO ETIANIC ACID DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL USE | SYNTEX (U.S.A.) INC. (US) | 1981-01-28 | — | — | EP | disclosed |
| US-4198403-A | ANTIINFLAMMATORY AGENTS | SYNTEX (U.S.A.) INC. (US) | 1980-04-15 | — | — | US | disclosed |
| US-4188385-A | ANTIINFLAMMATORY STERIODS | SYNTEX (U.S.A.) INC. (US) | 1980-02-12 | — | — | US | disclosed |
| US-4187301-A | ANTIINFLAMMATORY AGENTS | SYNTEX (U.S.A.) INC. (US) | 1980-02-05 | — | — | US | disclosed |
| EP-0004741-A2 | Thio etianic acid derivatives, their preparation and pharmaceutical use | SYNTEX (U.S.A.) INC. (US) | 1979-10-17 | — | — | EP | disclosed |
| EP-0004773-A2 | 17-Beta-thiocarboxylic acid esters of 4-halo-3-oxoandrost-4-enes, their pharmaceutical use and processes for their preparation | SYNTEX (U.S.A.) INC. (US) | 1979-10-17 | — | — | EP | disclosed |