Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | DRD1 | P21728 | 1/20 | 0.36 |
| ▸ | DRD4 | P21917 | 1/20 | 0.36 |
| ▸ | DRD5 | P21918 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.33 |
| ▸ | CEL | P19835 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.33 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.32 |
| ▸ | FASN | P49327 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL11240279 | 1.00 | DRD2 (0.36) | DRD2DRD1DRD4DRD5DRD3 | |
| SCHEMBL11234198 | 0.98 | DRD2 (0.37) | DRD2DRD1DRD4DRD5DRD3 | |
| SCHEMBL11235968 | 0.81 | DRD2 (0.37) | DRD2DRD1DRD4DRD5DRD3 | |
| SCHEMBL11235730 | 0.79 | OPRL1 (0.40) | DRD2DRD1DRD4DRD5DRD3 | |
| SCHEMBL7319057 | 0.79 | CEL (0.40) | DRD2DRD1DRD4DRD5DRD3 | |
| SCHEMBL11232055 | 0.79 | OPRL1 (0.40) | DRD2DRD1DRD4DRD5DRD3 | |
| SCHEMBL11233701 | 0.79 | DRD2 (0.36) | DRD2DRD1DRD4DRD5DRD3 | |
| SCHEMBL11247309 | 0.79 | DRD2 (0.36) | DRD2DRD1DRD4DRD5DRD3 | |
| SCHEMBL11230957 | 0.79 | NUDT1 (0.40) | DRD2DRD1DRD4DRD5DRD3 | |
| SCHEMBL11246736 | 0.79 | CEL (0.40) | DRD2DRD1DRD4DRD5DRD3 |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4094995-A | ETHYNYLBENZENE COMPOUNDS AND DERIVATIVES THEREOF TO TREAT PAIN, FEVER AND INFLAMMATION | WILLIAM H. RORER, INC. (US) | 1978-06-13 | — | — | US | claimed |
| US-4365093-A | Ethynylbenzene compounds and derivatives thereof | WILLIAM H. RORER, INC. (US) | 1982-12-21 | — | — | 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-4264627-A | Ethynylbenzene compounds and derivatives thereof to treat inflammation, pain or fever | WILLIAM H. RORER, INC. (US) | 1981-04-28 | — | — | 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-4166133-A | ETHYNYLBENZENE COMPOUNDS AND DERIVATIVES THEREOF TO TREAT PAIN, FEVER AND INFLAMMATION | WILLIAM H. RORER, INC. (US) | 1979-08-28 | — | — | US | disclosed |
| US-4157449-A | Ethynylbenzene compounds and derivatives thereof | WILLIAM H. RORER, INC. (US) | 1979-06-05 | — | — | US | disclosed |
| US-4150148-A | NITROSUBSTITUTED | WILLIAM H. RORER, INC. (US) | 1979-04-17 | — | — | US | disclosed |
| US-4120889-A | Cyano ethynylbenzene compounds | WILLIAM H. RORER, INC. (US) | 1978-10-17 | — | — | US | disclosed |
| US-4120885-A | Ethynylbenzene compounds and derivatives thereof | WILLIAM H. RORER, INC. (US) | 1978-10-17 | — | — | US | disclosed |
| US-4105786-A | ANTIINFLAMMATORY | WILLIAM H. RORER, INC. (US) | 1978-08-08 | — | — | US | disclosed |
| US-4101591-A | Ethynylbenzene compounds and derivatives thereof | WILLIAM H. RORER, INC. (US) | 1978-07-18 | — | — | 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-3981932-A | Ethynylbenzene compounds and derivatives thereof | WILLIAM H. RORER, INC. (US) | 1976-09-21 | — | — | US | disclosed |