Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.60 |
| ▸ | MAOB | P27338 | 2/20 | 0.48 |
| ▸ | AR | P10275 | 1/20 | 0.40 |
| ▸ | USP7 | Q93009 | 1/20 | 0.39 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.39 |
| ▸ | BACE1 | P56817 | 1/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | CASP3 | P42574 | 1/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.38 |
| ▸ | RELA | Q04206 | 1/20 | 0.38 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3842565 | 0.86 | KEAP1 (0.41) | CYP2A6 | |
| SCHEMBL15588908 | 0.81 | CYP2A6 (0.58) | CYP2A6MAOBARNPC1TP53 | |
| SCHEMBL31245782 | 0.81 | CYP2A6 (0.58) | CYP2A6MAOBARNPC1TP53 | |
| SCHEMBL6517747 | 0.78 | ESR2 (0.42) | CYP2A6 | |
| SCHEMBL11305092 | 0.78 | CYP2A6 (0.54) | CYP2A6MAOBARSCN9ABACE1 | |
| SCHEMBL9420892 | 0.78 | CYP2A6 (0.54) | CYP2A6BACE1NPC1TP53TSHR | |
| Fluretofen SCHEMBL5555925 | 0.77 | NPC1 (0.45) | BACE1TRPA1NPC1RAB9AALDH1A1 | |
| SCHEMBL20637069 | 0.77 | CA12 (0.36) | CYP2A6GABRA1GABRA5GABRA2GABRB2 | |
| SCHEMBL5362773 | 0.77 | ALDH1A1 (0.58) | ARBACE1NPC1RAB9AKDM4E | |
| SCHEMBL9876636 | 0.77 | CA12 (0.47) | ARBACE1TRPA1NPC1TSHR |
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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4301313-A | ANTIINFLAMMATORY AGENTS, ANTIPYRETICS, ANALGESICS | ELI-LILLY AND COMPANY (US) | 1981-11-17 | — | — | US | claimed |
| US-4267388-A | BY SULFONATING A BENZYL ALCOHOL COMPOUND, REDUCING THE SULFONYL DERIVATIVE TO A HALOSTYRENYL COMPOUND, AND DEHYDROHALOGENATING TO THE ETHYNYLBENZENE | WILLIAM H. RORER, INC. (US) | 1981-05-12 | — | — | US | claimed |
| US-4365093-A | Ethynylbenzene compounds and derivatives thereof | WILLIAM H. RORER, INC. (US) | 1982-12-21 | — | — | US | disclosed |
| US-4301313-A | ANTIINFLAMMATORY AGENTS, ANTIPYRETICS, ANALGESICS | ELI-LILLY AND COMPANY (US) | 1981-11-17 | — | — | US | disclosed |
| US-4296264-A | Ethynylbenzene compounds and derivatives thereof | WILLIAM H. RORER, INC. (US) | 1981-10-20 | — | — | US | disclosed |
| US-4288457-A | Ethynylbenzene compounds and derivatives thereof | WILLIAM H. RORER, INC. (US) | 1981-09-08 | — | — | US | disclosed |
| US-4267388-A | BY SULFONATING A BENZYL ALCOHOL COMPOUND, REDUCING THE SULFONYL DERIVATIVE TO A HALOSTYRENYL COMPOUND, AND DEHYDROHALOGENATING TO THE ETHYNYLBENZENE | WILLIAM H. RORER, INC. (US) | 1981-05-12 | — | — | US | disclosed |
| US-4264627-A | Ethynylbenzene compounds and derivatives thereof to treat inflammation, pain or fever | WILLIAM H. RORER, INC. (US) | 1981-04-28 | — | — | US | disclosed |
| US-4226887-A | P-BIPHENYLYLACETYLENE | ELI LILLY AND COMPANY (US) | 1980-10-07 | — | — | US | disclosed |
| US-4171373-A | Ethynylbenzene compounds and derivatives thereof to treat pain, fever and inflammation | WILLIAM H. RORER, INC. (US) | 1979-10-16 | — | — | US | disclosed |
| US-4168320-A | Ethynylbenzene compounds and derivatives thereof to treat inflammation, pain or fever | WILLIAM H. RORER, INC. (US) | 1979-09-18 | — | — | US | disclosed |
| US-4096279-A | Ethynylbenzene compounds and derivatives thereof in the treatment of pain fever and inflammation | WILLIAM H. RORER, INC. (US) | 1978-06-20 | — | — | US | disclosed |
| US-4094995-A | ETHYNYLBENZENE COMPOUNDS AND DERIVATIVES THEREOF TO TREAT PAIN, FEVER AND INFLAMMATION | WILLIAM H. RORER, INC. (US) | 1978-06-13 | — | — | US | disclosed |
| US-4093737-A | Ethynylbenzene compounds and derivatives thereof in the treatment of pain, fever or inflammation | WILLIAM H. RORER, INC. (US) | 1978-06-06 | — | — | US | disclosed |
| US-4075354-A | ETHYNYLBENZENE COMPOUNDS AND DERIVATIVES THEREOF FOR TREATING PAIN FEVER AND INFLAMMATION | WILLIAM H. RORER, INC. (US) | 1978-02-21 | — | — | US | disclosed |
| US-4016214-A | Preparation of ethynylbenzenes | WILLIAM H. RORER, INC. (US) | 1977-04-05 | — | — | US | disclosed |
| US-3991212-A | PHENYLACETYLENE COMPOUNDS | ELI LILLY AND COMPANY (US) | 1976-11-09 | — | — | US | disclosed |
| US-3981932-A | Ethynylbenzene compounds and derivatives thereof | WILLIAM H. RORER, INC. (US) | 1976-09-21 | — | — | US | disclosed |
| US-3968251-A | Arylacetylene compounds as antithrombotic agents | ELI LILLY AND COMPANY (US) | 1976-07-06 | — | — | US | disclosed |
| US-3952067-A | Ethynylbenzenes | WILLIAM H. RORER, INC. (US) | 1976-04-20 | — | — | US | disclosed |