Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 2/20 | 0.41 |
| ▸ | NOTUM | Q6P988 | 3/20 | 0.39 |
| ▸ | SLC9A1 | P19634 | 3/20 | 0.38 |
| ▸ | AR | P10275 | 5/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | RBP4 | P02753 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | DRD1 | P21728 | 1/20 | 0.34 |
| ▸ | DRD4 | P21917 | 1/20 | 0.34 |
| ▸ | DRD5 | P21918 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL11234509 | 1.00 | HTR2C (0.41) | HTR2CNOTUMSLC9A1ARCYP3A4 | |
| SCHEMBL11224505 | 0.98 | HTR2C (0.41) | HTR2CNOTUMSLC9A1ARCYP3A4 | |
| SCHEMBL27014318 | 0.85 | NOTUM (0.40) | HTR2CNOTUMSLC9A1CYP3A4CYP2C9 | |
| SCHEMBL1806880 | 0.84 | AR (0.51) | HTR2CNOTUMSLC9A1ARCYP3A4 | |
| SCHEMBL2327371 | 0.83 | AR (0.50) | HTR2CNOTUMSLC9A1ARCYP3A4 | |
| SCHEMBL11235968 | 0.80 | DRD2 (0.37) | HTR2CPTGDR2DRD2DRD1DRD4 | |
| SCHEMBL11235730 | 0.79 | OPRL1 (0.40) | KCNH2PTGDR2DRD2DRD1DRD4 | |
| SCHEMBL11232055 | 0.79 | OPRL1 (0.40) | KCNH2PTGDR2DRD2DRD1DRD4 | |
| SCHEMBL11230627 | 0.77 | OPRL1 (0.38) | KCNH2PTGDR2DRD2DRD1DRD4 | |
| SCHEMBL28037156 | 0.77 | MEN1 (0.39) | HTR2CARCYP3A4CYP2C19KCNH2 |
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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4101591-A | Ethynylbenzene compounds and derivatives thereof | WILLIAM H. RORER, INC. (US) | 1978-07-18 | — | — | US | claimed |
| 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 |